CID 13623

5-aminobenzimidazole

Structural Information

Molecular Formula

C₇H₇N₃

SMILES

C1=CC2=C(C=C1N)NC=N2

InChI

InChI=1S/C7H7N3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2,(H,9,10)

InChIKey

WFRXSXUDWCVSPI-UHFFFAOYSA-N

Compound name

3H-benzimidazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 1987
Patents: 133.064 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	134.07128	122.5
[M+Na]+	156.05322	133.0
[M-H]-	132.05672	123.5
[M+NH4]+	151.09782	143.7
[M+K]+	172.02716	129.2
[M+H-H2O]+	116.06126	116.0
[M+HCOO]-	178.06220	146.3
[M+CH3COO]-	192.07785	136.7
[M+Na-2H]-	154.03867	131.8
[M]+	133.06345	120.6
[M]-	133.06455	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe