CID 12420700

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

Structural Information

Molecular Formula
C5H7N3O
SMILES
CNC(=O)N1C=CN=C1
InChI
InChI=1S/C5H7N3O/c1-6-5(9)8-3-2-7-4-8/h2-4H,1H3,(H,6,9)
InChIKey
CWUCFKUUTSQSSZ-UHFFFAOYSA-N
Compound name
N-methylimidazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

328
Patents

125.058914 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 123.2
[M+Na]+ 148.04813 131.5
[M-H]- 124.05164 124.5
[M+NH4]+ 143.09274 144.2
[M+K]+ 164.02207 131.1
[M+H-H2O]+ 108.05617 116.1
[M+HCOO]- 170.05712 147.7
[M+CH3COO]- 184.07276 170.1
[M+Na-2H]- 146.03358 130.2
[M]+ 125.05837 122.5
[M]- 125.05946 122.5
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