CID 78579

Methyl hydrogen carbonate

Structural Information

Molecular Formula
C2H4O3
SMILES
COC(=O)O
InChI
InChI=1S/C2H4O3/c1-5-2(3)4/h1H3,(H,3,4)
InChIKey
CXHHBNMLPJOKQD-UHFFFAOYSA-N
Compound name
methyl hydrogen carbonate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

29
References

39991
Patents

76.016045 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.023321 108.7
[M+Na]+ 99.005263 117.3
[M-H]- 75.008769 108.4
[M+NH4]+ 94.049868 132.3
[M+K]+ 114.979203 118.5
[M+H-H2O]+ 59.013305 105.1
[M+HCOO]- 121.014246 132.3
[M+CH3COO]- 135.029896 157.5
[M+Na-2H]- 96.990711 116.2
[M]+ 76.01549642 109.5
[M]- 76.01659358 109.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe