CID 75953

2735-62-8

Structural Information

Molecular Formula

C₁₀H₉N₃

SMILES

CN1C2=CC=CC=C2N=C1CC#N

InChI

InChI=1S/C10H9N3/c1-13-9-5-3-2-4-8(9)12-10(13)6-7-11/h2-5H,6H2,1H3

InChIKey

DYWFJPNNNWXOAK-UHFFFAOYSA-N

Compound name

2-(1-methylbenzimidazol-2-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 34
Patents: 171.07965 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]+	172.08693	137.5
[M+Na]+	194.06887	151.3
[M+NH4]+	189.11347	142.9
[M+K]+	210.04281	142.5
[M-H]-	170.07237	131.9
[M+Na-2H]-	192.05432	142.0
[M]+	171.07910	137.1
[M]-	171.08020	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe