CID 430989

1h-benzimidazole-1,2-diamine

Structural Information

Molecular Formula

C₇H₈N₄

SMILES

C1=CC=C2C(=C1)N=C(N2N)N

InChI

InChI=1S/C7H8N4/c8-7-10-5-3-1-2-4-6(5)11(7)9/h1-4H,9H2,(H2,8,10)

InChIKey

JPVWRXBVNNXNND-UHFFFAOYSA-N

Compound name

benzimidazole-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 109
Patents: 148.07489 Da
Monoisotopic Mass: 0.7
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]+	149.08217	126.0
[M+Na]+	171.06411	138.3
[M+NH4]+	166.10871	134.6
[M+K]+	187.03805	134.6
[M-H]-	147.06761	128.4
[M+Na-2H]-	169.04956	132.9
[M]+	148.07434	128.2
[M]-	148.07544	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe