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
3
Annotation Hits

29
References

39823
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]+ 114.97920 118.5
[M+H-H2O]+ 59.013305 105.1
[M+HCOO]- 121.01425 132.3
[M+CH3COO]- 135.02990 157.5
[M+Na-2H]- 96.990711 116.2
[M]+ 76.015496 109.5
[M]- 76.016594 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.