CID 4610536

69006-93-5

Structural Information

Molecular Formula

C₈H₈N₄

SMILES

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

InChI

InChI=1S/C8H8N4/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H3,9,10)(H,11,12)

InChIKey

DKMZVRTWQBZKME-UHFFFAOYSA-N

Compound name

1H-benzimidazole-2-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 63
Patents: 160.07489 Da
Monoisotopic Mass: 0.6
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]+	161.08217	130.4
[M+Na]+	183.06411	141.6
[M+NH4]+	178.10871	138.2
[M+K]+	199.03805	138.2
[M-H]-	159.06761	131.9
[M+Na-2H]-	181.04956	136.7
[M]+	160.07434	132.0
[M]-	160.07544	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe