Species |
Name |
List all bonds |
Experimental data |
COH |
Hydroxymethylidyne |
List all bonds |
Experimental data |
HOCH |
hydroxycarbene |
List all bonds |
Experimental data |
CH2OH |
Hydroxymethyl radical |
List all bonds |
Experimental data |
CH2OH+ |
hydroxymethyl cation |
List all bonds |
Experimental data |
CH3O |
Methoxy radical |
List all bonds |
Experimental data |
CH3O- |
methoxy anion |
List all bonds |
Experimental data |
CH3O+ |
Methoxy cation |
List all bonds |
Experimental data |
CH3OH |
Methyl alcohol |
List all bonds |
Experimental data |
CH3OH- |
Methyl alcohol anion |
List all bonds |
Experimental data |
CH3OH+ |
Methyl alcohol cation |
List all bonds |
Experimental data |
CH3OH2+ |
Methanol, protonated |
List all bonds |
Experimental data |
HOCN |
cyanic acid |
List all bonds |
Experimental data |
HCO2- |
formate anion |
List all bonds |
Experimental data |
HCOO |
formate neutral radical |
List all bonds |
Experimental data |
HOCO |
Hydrocarboxyl radical |
List all bonds |
Experimental data |
HOCO+ |
Hydrocarboxyl cation |
List all bonds |
Experimental data |
C2H2O |
Oxirene |
List all bonds |
Experimental data |
HCCOH |
ethynol |
List all bonds |
Experimental data |
CH2O2 |
Dioxirane |
List all bonds |
Experimental data |
HCOOH |
Formic acid |
List all bonds |
Experimental data |
NaOCH3 |
Sodium methoxide |
List all bonds |
Experimental data |
CH3BO |
Borane, methyloxo- |
List all bonds |
Experimental data |
CNOH3 |
1,2-oxaziridine |
List all bonds |
Experimental data |
HOCHNH |
hydroxymethylimine |
List all bonds |
Experimental data |
CH2OOH |
CH2OOH radical |
List all bonds |
Experimental data |
CH3OO |
methylperoxy radical |
List all bonds |
Experimental data |
CH3OO- |
methylperoxy anion |
List all bonds |
Experimental data |
CH3OO+ |
methylperoxy cation |
List all bonds |
Experimental data |
C2H4O |
Ethylene oxide |
List all bonds |
Experimental data |
C2H4O+ |
ethylene oxide cation |
List all bonds |
Experimental data |
CH2CHOH |
ethenol |
List all bonds |
Experimental data |
H2COCH2+ |
Methyl, (methyleneoxoniumyl)- |
List all bonds |
Experimental data |
H2CONH2+ |
protonated formamide |
List all bonds |
Experimental data |
CH2(OH)2 |
methanediol |
List all bonds |
Experimental data |
CH3OOH |
Methyl peroxide |
List all bonds |
Experimental data |
C2H4OH+ |
ethylene oxide, protonated |
List all bonds |
Experimental data |
CH2CH2OH |
2-hydroxy ethyl radical |
List all bonds |
Experimental data |
CH3CH2O |
Ethoxy radical |
List all bonds |
Experimental data |
CH3CHOH |
1-hydroxy-ethyl radical |
List all bonds |
Experimental data |
CH3CHOH+ |
acetaldehyde, protonated |
List all bonds |
Experimental data |
CH3OCH2 |
methoxymethyl radical |
List all bonds |
Experimental data |
NH2CH2OH |
aminomethanol |
List all bonds |
Experimental data |
CH3CH2OH |
Ethanol |
List all bonds |
Experimental data |
CH3OCH3 |
Dimethyl ether |
List all bonds |
Experimental data |
CH3OHH2O |
methanol water dimer |
List all bonds |
Experimental data |
H2OCH3OH |
water methanol dimer |
List all bonds |
Experimental data |
CH2FOH |
fluoromethanol |
List all bonds |
Experimental data |
CH3OCl |
methyl hypochlorite |
List all bonds |
Experimental data |
CO3 |
Carbon trioxide |
List all bonds |
Experimental data |
CO3-- |
carbonate |
List all bonds |
Experimental data |
HCO3- |
bicarbonate anion |
List all bonds |
Experimental data |
H2CO3 |
Carbonic acid |
List all bonds |
Experimental data |
HOCH2CN |
cyanomethanol |
List all bonds |
Experimental data |
CH3COO- |
acetate anion |
List all bonds |
Experimental data |
CH3ONO |
Methyl nitrite |
List all bonds |
Experimental data |
NH2COOH |
Carbamic acid |
List all bonds |
Experimental data |
H3CO3+ |
carbonic acid, protonated |
List all bonds |
Experimental data |
C3H4O |
2-Propyn-1-ol |
List all bonds |
Experimental data |
C3H4O |
allenol |
List all bonds |
Experimental data |
C2H4O2 |
1,3-dioxetane |
List all bonds |
Experimental data |
CH3COOH |
Acetic acid |
List all bonds |
Experimental data |
CH3OCHO |
methyl formate |
List all bonds |
Experimental data |
CHOCH2OH |
hydroxy acetaldehyde |
List all bonds |
Experimental data |
NH2COOH2+ |
Carbamic acid, O-protonated |
List all bonds |
Experimental data |
NH3COOH+ |
protonated Carbamic acid |
List all bonds |
Experimental data |
H2OHCOOH |
Water formic acid dimer 1 |
List all bonds |
Experimental data |
H2OHCOOH |
Water formic acid dimer 2 |
List all bonds |
Experimental data |
HCOOHH2O |
Formic acid water dimer |
List all bonds |
Experimental data |
HOCH2OOH |
hydroxy methyl peroxide |
List all bonds |
Experimental data |
CH2C(OH)NH2 |
1-amino vinyl alchohol |
List all bonds |
Experimental data |
CH3C(OH)=NH |
Ethaninidic acid |
List all bonds |
Experimental data |
C2H5OO |
ethylperoxy radical |
List all bonds |
Experimental data |
C3H5OH |
Cyclopropanol |
List all bonds |
Experimental data |
C3H6O |
2-Propen-1-ol |
List all bonds |
Experimental data |
C3H6O |
Acetone enol |
List all bonds |
Experimental data |
C3H6O |
Oxetane |
List all bonds |
Experimental data |
C3H6O |
Propylene oxide |
List all bonds |
Experimental data |
C2H6O2 |
1,2-Ethanediol |
List all bonds |
Experimental data |
CH3OOCH3 |
dimethylperoxide |
List all bonds |
Experimental data |
HOCH2CH2NH2 |
monoethanolamine |
List all bonds |
Experimental data |
C3H7OH |
1-Propanol |
List all bonds |
Experimental data |
CH3CHOHCH3 |
Isopropyl alcohol |
List all bonds |
Experimental data |
CH3OC2H5 |
Ethane, methoxy- |
List all bonds |
Experimental data |
H2OCH3OCH3 |
water dimethylether dimer |
List all bonds |
Experimental data |
CH2FCH2OH |
2-fluoroethanol |
List all bonds |
Experimental data |
CH2ClCH2OH |
2-Chloroethanol |
List all bonds |
Experimental data |
CH2ClCH2OH2+ |
2-chloroethanol, protonated |
List all bonds |
Experimental data |
C3H9O+ |
trimethyl oxonium cation |
List all bonds |
Experimental data |
MgCO3 |
Magnesium Carbonate |
List all bonds |
Experimental data |
BeCO3 |
Beryllium Carbonate |
List all bonds |
Experimental data |
C3H2O2 |
Propiolic acid |
List all bonds |
Experimental data |
CHOCOOH |
oxo acetic acid |
List all bonds |
Experimental data |
CHOOCHO |
diformyl ether |
List all bonds |
Experimental data |
C3H3NO |
Isoxazole |
List all bonds |
Experimental data |
C3H3NO |
Oxazole |
List all bonds |
Experimental data |
CH3C(O)OO |
acetyl peroxy radical |
List all bonds |
Experimental data |
CH3NO3 |
Methyl nitrate |
List all bonds |
Experimental data |
C4H4O |
Furan |
List all bonds |
Experimental data |
C4H4O+ |
Furan cation |
List all bonds |
Experimental data |
C3H4O2 |
β–Propiolactone |
List all bonds |
Experimental data |
C3H4O2 |
2-Propenoic acid |
List all bonds |
Experimental data |
C3H4O2 |
propenalol |
List all bonds |
Experimental data |
HOCHCCHOH |
allenediol |
List all bonds |
Experimental data |
C2H4O3 |
1,2,3-trioxolane |
List all bonds |
Experimental data |
C2H4O3 |
trioxolane124 |
List all bonds |
Experimental data |
HOCH2COOH |
Hydroxyacetic acid |
List all bonds |
Experimental data |
CH3OCH2CN |
Methoxyacetonitrile |
List all bonds |
Experimental data |
H2NCH2COOH |
Glycine |
List all bonds |
Experimental data |
C4H6O |
Furan, 2,3-dihydro- |
List all bonds |
Experimental data |
C4H6O |
Furan, 2,5-dihydro- |
List all bonds |
Experimental data |
CH2CHOCHCH2 |
Vinyl ether |
List all bonds |
Experimental data |
C3H6O2 |
1,3-Dioxolane |
List all bonds |
Experimental data |
CH3CH2COOH |
Propanoic Acid |
List all bonds |
Experimental data |
CH3COOCH3 |
methyl acetate |
List all bonds |
Experimental data |
HCOOC2H5 |
Ethyl formate |
List all bonds |
Experimental data |
C2H3OC2H5 |
Ethene, ethoxy- |
List all bonds |
Experimental data |
C4H8O |
Cyclobutanol |
List all bonds |
Experimental data |
C4H8O |
Furan, tetrahydro- |
List all bonds |
Experimental data |
CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
List all bonds |
Experimental data |
C3H8O2 |
1,3-Propanediol |
List all bonds |
Experimental data |
C3H8O2 |
Hydroperoxide, 1-methylethyl |
List all bonds |
Experimental data |
C3H8O2 |
Methane, dimethoxy- |
List all bonds |
Experimental data |
C3H8O2 |
Propylene glycol |
List all bonds |
Experimental data |
C4H10O |
1-Butanol |
List all bonds |
Experimental data |
C4H10O |
1-Propanol, 2-methyl- |
List all bonds |
Experimental data |
C4H10O |
2-Butanol, (.+/-.)- |
List all bonds |
Experimental data |
C4H10O |
Ethanol, 1,1-dimethyl- |
List all bonds |
Experimental data |
C4H10O |
Ethoxy ethane |
List all bonds |
Experimental data |
C4H10O |
Methyl propyl ether |
List all bonds |
Experimental data |
C4H10O |
Propane, 2-methoxy- |
List all bonds |
Experimental data |
C4H10O+ |
1-Butanol cation |
List all bonds |
Experimental data |
CF3OH |
trifluoromethanol |
List all bonds |
Experimental data |
C3H5ClO |
Oxirane, (chloromethyl)- |
List all bonds |
Experimental data |
Na2CO3 |
Sodium Carbonate |
List all bonds |
Experimental data |
C2O4-- |
oxalate anion |
List all bonds |
Experimental data |
C3H2O3 |
vinylene carbonate |
List all bonds |
Experimental data |
C2H2O4 |
Oxalic Acid |
List all bonds |
Experimental data |
C2H3NO3 |
Oxamic acid |
List all bonds |
Experimental data |
C4H4O2 |
2(5H)-Furanone |
List all bonds |
Experimental data |
C4H4O2 |
2-Oxetanone, 4-methylene- |
List all bonds |
Experimental data |
C2H4CO3 |
Ethylene carbonate |
List all bonds |
Experimental data |
C2H4O4 |
Formic acid dimer |
List all bonds |
Experimental data |
C4H5NO |
3-Methylisoxazole |
List all bonds |
Experimental data |
C4H5NO |
Isoxazole, 5-methyl- |
List all bonds |
Experimental data |
C2H5NO3 |
Nitric acid, ethyl ester |
List all bonds |
Experimental data |
C5H6O |
2H-Pyran |
List all bonds |
Experimental data |
C5H6O |
2-methylfuran |
List all bonds |
Experimental data |
C5H6O |
3-Methylfuran |
List all bonds |
Experimental data |
C4H6O2 |
γ–Butyrolactone |
List all bonds |
Experimental data |
C4H6O2 |
2-Propenoic acid, methyl ester |
List all bonds |
Experimental data |
C4H6O2 |
Crotonic Acid |
List all bonds |
Experimental data |
C4H6OS |
2,3-dihydrothiophene-2-ol |
List all bonds |
Experimental data |
C4H6OS |
2,5-dihydrothiophene-3-ol |
List all bonds |
Experimental data |
C4H6OS |
4,5-dihydrothiophene-2-ol |
List all bonds |
Experimental data |
C4H6OS |
4,5-dihydrothiophene-3-ol |
List all bonds |
Experimental data |
C3H6O3 |
1,3,5-Trioxane |
List all bonds |
Experimental data |
C2H6O3S |
Sulfurous acid, dimethyl ester |
List all bonds |
Experimental data |
C4H7NO |
Ethoxyacetonitrile |
List all bonds |
Experimental data |
C4H7NO |
Oxazole, 4,5-dihydro-2-methyl- |
List all bonds |
Experimental data |
C3H7ONO |
Propyl nitrite |
List all bonds |
Experimental data |
CH3CH(CH3)ONO |
Isopropyl nitrite |
List all bonds |
Experimental data |
CH3CH(NH2)COOH |
Alanine |
List all bonds |
Experimental data |
CH3NHCH2COOH |
Sarcosine |
List all bonds |
Experimental data |
NH2CH2CH2COOH |
β–alanine |
List all bonds |
Experimental data |
NH2COOC2H5 |
Urethane |
List all bonds |
Experimental data |
C5H8O |
2H-Pyran, 3,4-dihydro- |
List all bonds |
Experimental data |
C5H8O |
Furan, 2,3-dihydro-5-methyl- |
List all bonds |
Experimental data |
C4H8O2 |
1,3-Dioxane |
List all bonds |
Experimental data |
C4H8O2 |
1,3-Dioxolane, 2-methyl- |
List all bonds |
Experimental data |
C4H8O2 |
1,4-Dioxane |
List all bonds |
Experimental data |
C4H8O2 |
Ethene, 1,1-dimethoxy- |
List all bonds |
Experimental data |
C4H8O2 |
Ethyl acetate |
List all bonds |
Experimental data |
C3H8O3 |
1,2,3-Propanetriol |
List all bonds |
Experimental data |
C5H10O |
2H-Pyran, tetrahydro- |
List all bonds |
Experimental data |
C5H10O |
Cyclopentanol |
List all bonds |
Experimental data |
C5H10O |
Oxetane, 3,3-dimethyl- |
List all bonds |
Experimental data |
C4H10O2 |
1,1-Dimethoxyethane |
List all bonds |
Experimental data |
C4H10O2 |
1,3-Butanediol |
List all bonds |
Experimental data |
C4H10O2 |
1,4-Butanediol |
List all bonds |
Experimental data |
C4H10O2 |
Ethane, 1,2-dimethoxy- |
List all bonds |
Experimental data |
C5H12O |
1-Butanol, 2-methyl- |
List all bonds |
Experimental data |
C5H12O |
1-Butanol, 3-methyl- |
List all bonds |
Experimental data |
C5H12O |
1-Pentanol |
List all bonds |
Experimental data |
C5H12O |
2-Butanol, 3-methyl- |
List all bonds |
Experimental data |
C5H12O |
2-Pentanol |
List all bonds |
Experimental data |
C5H12O |
3-Pentanol |
List all bonds |
Experimental data |
C5H12O |
Butane, 1-methoxy- |
List all bonds |
Experimental data |
C5H12O |
Propane, 1-ethoxy- |
List all bonds |
Experimental data |
C5H12O |
Propane, 2-methoxy-2-methyl- |
List all bonds |
Experimental data |
CF3OF |
Trifluoromethylhypofluorite |
List all bonds |
Experimental data |
CF3COOH |
trifluoroacetic acid |
List all bonds |
Experimental data |
C4H3ClO |
Furan, 2-chloro |
List all bonds |
Experimental data |
C4H3ClO |
Furan,3-chloro |
List all bonds |
Experimental data |
C3H5ClO2 |
Carbonochloridic acid, ethyl ester |
List all bonds |
Experimental data |
C4H9ClO |
1-Chloro-2-ethoxyethane |
List all bonds |
Experimental data |
C4H8O2 |
Butanoic acid |
List all bonds |
Experimental data |
C4H2O3 |
Maleic Anhydride |
List all bonds |
Experimental data |
C5H4O2 |
furfural |
List all bonds |
Experimental data |
C6H5O |
phenoxy radical |
List all bonds |
Experimental data |
C5H5NO |
2-Pyridinol |
List all bonds |
Experimental data |
C5H5NO |
3-Pyridinol |
List all bonds |
Experimental data |
C5H5NO |
4-Pyridinol |
List all bonds |
Experimental data |
C6H5OH |
phenol |
List all bonds |
Experimental data |
HO2CCHNH2CH2OH |
Serine |
List all bonds |
Experimental data |
C6H12O |
Oxepane |
List all bonds |
Experimental data |
C3H7OC3H7 |
di-n-propyl ether |
List all bonds |
Experimental data |
CF3COO- |
trifluoro acetate anion |
List all bonds |
Experimental data |
C6H5OCH3 |
Anisole |
List all bonds |
Experimental data |
C5H9NO2 |
Proline |
List all bonds |
Experimental data |
C6H12O2 |
Methyl pivalate |
List all bonds |
Experimental data |
C6H12O2 |
Hexanoic acid |
List all bonds |
Experimental data |
C6H5COOH |
benzoic acid |
List all bonds |
Experimental data |
C8H18O |
1-Octanol |
List all bonds |
Experimental data |
C6H12O6 |
Inositol |
List all bonds |
Experimental data |