CID 2736884

1-methyl-1h-imidazole-5-carboxamide

Structural Information

Molecular Formula
C5H7N3O
SMILES
CN1C=NC=C1C(=O)N
InChI
InChI=1S/C5H7N3O/c1-8-3-7-2-4(8)5(6)9/h2-3H,1H3,(H2,6,9)
InChIKey
FFEDTKQANJQNBP-UHFFFAOYSA-N
Compound name
3-methylimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

95
Patents

125.058914 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 123.5
[M+Na]+ 148.04813 133.7
[M+NH4]+ 143.09274 130.7
[M+K]+ 164.02207 131.5
[M-H]- 124.05164 123.4
[M+Na-2H]- 146.03358 128.5
[M]+ 125.05837 124.5
[M]- 125.05946 124.5
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