CID 565659

N-methyl-1h-imidazole-4-carboxamide

Structural Information

Molecular Formula
C5H7N3O
SMILES
CNC(=O)C1=CN=CN1
InChI
InChI=1S/C5H7N3O/c1-6-5(9)4-2-7-3-8-4/h2-3H,1H3,(H,6,9)(H,7,8)
InChIKey
FLFMCBMWUDAGSD-UHFFFAOYSA-N
Compound name
N-methyl-1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

125.058914 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.066190 123.7
[M+Na]+ 148.048132 131.4
[M-H]- 124.051638 123.5
[M+NH4]+ 143.092737 143.8
[M+K]+ 164.022072 130.1
[M+H-H2O]+ 108.056174 116.7
[M+HCOO]- 170.057115 146.6
[M+CH3COO]- 184.072765 168.2
[M+Na-2H]- 146.033580 130.2
[M]+ 125.05836542 121.2
[M]- 125.05946258 121.2
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

patents stripe