CID 152917

1h-imidazole-4-carboxamide

Structural Information

Molecular Formula
C4H5N3O
SMILES
C1=C(NC=N1)C(=O)N
InChI
InChI=1S/C4H5N3O/c5-4(8)3-1-6-2-7-3/h1-2H,(H2,5,8)(H,6,7)
InChIKey
ZBNZAJFNDPPMDT-UHFFFAOYSA-N
Compound name
1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

3388
Patents

111.04326 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.05054 119.1
[M+Na]+ 134.03248 127.3
[M-H]- 110.03598 118.6
[M+NH4]+ 129.07708 139.5
[M+K]+ 150.00642 125.8
[M+H-H2O]+ 94.040520 112.4
[M+HCOO]- 156.04146 141.8
[M+CH3COO]- 170.05711 165.2
[M+Na-2H]- 132.01793 125.2
[M]+ 111.04271 115.3
[M]- 111.04381 115.3
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