CID 154534

141691-41-0

Structural Information

Molecular Formula

C₉H₈N₄

SMILES

CN1C2=C(C=C(C=C2)C#N)N=C1N

InChI

InChI=1S/C9H8N4/c1-13-8-3-2-6(5-10)4-7(8)12-9(13)11/h2-4H,1H3,(H2,11,12)

InChIKey

VWOBVMUYALAJKO-UHFFFAOYSA-N

Compound name

2-amino-1-methylbenzimidazole-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 172.07489 Da
Monoisotopic Mass: 1.1
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]+	173.08217	137.8
[M+Na]+	195.06411	150.7
[M+NH4]+	190.10871	142.7
[M+K]+	211.03805	142.9
[M-H]-	171.06761	132.4
[M+Na-2H]-	193.04956	141.6
[M]+	172.07434	137.2
[M]-	172.07544	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe