CID 20329

4331-29-7

Structural Information

Molecular Formula

C₇H₇N₃

SMILES

C1=CC(=C2C(=C1)NC=N2)N

InChI

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

InChIKey

NZJKEQFPRPAEPO-UHFFFAOYSA-N

Compound name

1H-benzimidazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1436
Patents: 133.064 Da
Monoisotopic Mass: 0.8
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	122.8
[M+Na]+	156.05322	135.8
[M+NH4]+	151.09782	131.7
[M+K]+	172.02716	131.5
[M-H]-	132.05672	124.5
[M+Na-2H]-	154.03867	130.1
[M]+	133.06345	125.0
[M]-	133.06455	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe