CID 96685

1h-benzimidazol-2-ylcyanamide

Structural Information

Molecular Formula

C₈H₆N₄

SMILES

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

InChI

InChI=1S/C8H6N4/c9-5-10-8-11-6-3-1-2-4-7(6)12-8/h1-4H,(H2,10,11,12)

InChIKey

NYLIXUBOFQIMGV-UHFFFAOYSA-N

Compound name

1H-benzimidazol-2-ylcyanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 158.05925 Da
Monoisotopic Mass: 1.6
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]+	159.06653	135.8
[M+Na]+	181.04847	147.9
[M+NH4]+	176.09307	140.6
[M+K]+	197.02241	139.9
[M-H]-	157.05197	129.9
[M+Na-2H]-	179.03392	140.0
[M]+	158.05870	134.9
[M]-	158.05980	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe