CID 30536

Methylcarbamic acid

Structural Information

Molecular Formula
C2H5NO2
SMILES
CNC(=O)O
InChI
InChI=1S/C2H5NO2/c1-3-2(4)5/h3H,1H3,(H,4,5)
InChIKey
UFEJKYYYVXYMMS-UHFFFAOYSA-N
Compound name
methylcarbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

115
References

19683
Patents

75.03203 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 76.039306 110.4
[M+Na]+ 98.021248 118.1
[M-H]- 74.024754 110.0
[M+NH4]+ 93.065853 133.7
[M+K]+ 113.99519 118.7
[M+H-H2O]+ 58.029290 106.4
[M+HCOO]- 120.03023 134.7
[M+CH3COO]- 134.04588 160.3
[M+Na-2H]- 96.006696 118.0
[M]+ 75.031481 108.8
[M]- 75.032579 108.8
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