CID 1801

71892-45-0

Structural Information

Molecular Formula

C₈H₈N₄

SMILES

C1=CC2=C(C=C1C(=N)N)NC=N2

InChI

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

InChIKey

UHGFPMUGEQINGV-UHFFFAOYSA-N

Compound name

3H-benzimidazole-5-carboximidamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 172
Patents: 160.07489 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]+	161.08217	130.0
[M+Na]+	183.06411	139.1
[M-H]-	159.06761	131.0
[M+NH4]+	178.10871	149.6
[M+K]+	199.03805	134.9
[M+H-H2O]+	143.07215	123.0
[M+HCOO]-	205.07309	153.6
[M+CH3COO]-	219.08874	143.1
[M+Na-2H]-	181.04956	138.1
[M]+	160.07434	126.5
[M]-	160.07544	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe