CID 15421642

116568-17-3

Structural Information

Molecular Formula
C8H7N3O
SMILES
C1=CC2=C(C=C1C(=O)N)NC=N2
InChI
InChI=1S/C8H7N3O/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-4H,(H2,9,12)(H,10,11)
InChIKey
FNLQDVXHDNFXIY-UHFFFAOYSA-N
Compound name
3H-benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

922
Patents

161.05891 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06619 130.0
[M+Na]+ 184.04813 140.0
[M-H]- 160.05163 131.0
[M+NH4]+ 179.09273 149.9
[M+K]+ 200.02207 136.3
[M+H-H2O]+ 144.05617 123.3
[M+HCOO]- 206.05711 152.8
[M+CH3COO]- 220.07276 143.6
[M+Na-2H]- 182.03358 137.5
[M]+ 161.05836 128.6
[M]- 161.05946 128.6
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