CID 277

Carbamic acid

Structural Information

Molecular Formula
CH3NO2
SMILES
C(=O)(N)O
InChI
InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)
InChIKey
KXDHJXZQYSOELW-UHFFFAOYSA-N
Compound name
carbamic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

16148
References

148047
Patents

61.016376 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 62.023652 106.0
[M+Na]+ 84.005594 114.1
[M-H]- 60.009100 105.2
[M+NH4]+ 79.050199 129.5
[M+K]+ 99.979534 114.5
[M+H-H2O]+ 44.013636 102.2
[M+HCOO]- 106.01458 130.0
[M+CH3COO]- 120.03023 157.2
[M+Na-2H]- 81.991042 113.0
[M]+ 61.015827 103.1
[M]- 61.016925 103.1
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