CID 5271241

1h-imidazole-4-carboxamide, 5-methyl-

Structural Information

Molecular Formula
C5H7N3O
SMILES
CC1=C(N=CN1)C(=O)N
InChI
InChI=1S/C5H7N3O/c1-3-4(5(6)9)8-2-7-3/h2H,1H3,(H2,6,9)(H,7,8)
InChIKey
OBMQVZVVUYIGHX-UHFFFAOYSA-N
Compound name
5-methyl-1H-imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

52
Patents

125.058914 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 123.7
[M+Na]+ 148.04813 132.4
[M-H]- 124.05164 123.4
[M+NH4]+ 143.09274 143.8
[M+K]+ 164.02207 130.6
[M+H-H2O]+ 108.05617 117.1
[M+HCOO]- 170.05712 146.0
[M+CH3COO]- 184.07276 169.3
[M+Na-2H]- 146.03358 128.5
[M]+ 125.05837 120.6
[M]- 125.05946 120.6
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