CID 11722

Methyl carbamate

Structural Information

Molecular Formula
C2H5NO2
SMILES
COC(=O)N
InChI
InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)
InChIKey
GTCAXTIRRLKXRU-UHFFFAOYSA-N
Compound name
methyl carbamate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

136
References

61099
Patents

75.03203 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 76.039306 110.0
[M+Na]+ 98.021248 118.1
[M-H]- 74.024754 110.5
[M+NH4]+ 93.065853 133.7
[M+K]+ 113.99519 119.3
[M+H-H2O]+ 58.029290 105.8
[M+HCOO]- 120.03023 135.1
[M+CH3COO]- 134.04588 162.2
[M+Na-2H]- 96.006696 117.0
[M]+ 75.031481 109.3
[M]- 75.032579 109.3
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.