CID 36149

2-guanidinobenzimidazole

Structural Information

Molecular Formula
C8H9N5
SMILES
C1=CC=C2C(=C1)NC(=N2)N=C(N)N
InChI
InChI=1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,12,13)
InChIKey
JJWCTKUQWXYIIU-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

22
References

1066
Patents

175.0858 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09308 132.6
[M+Na]+ 198.07502 141.4
[M-H]- 174.07852 134.5
[M+NH4]+ 193.11962 151.7
[M+K]+ 214.04896 137.8
[M+H-H2O]+ 158.08306 125.0
[M+HCOO]- 220.08400 158.2
[M+CH3COO]- 234.09965 145.7
[M+Na-2H]- 196.06047 140.8
[M]+ 175.08525 129.2
[M]- 175.08635 129.2
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