CID 33702

27099-22-5

Structural Information

Molecular Formula

C₁₀H₉N₃

SMILES

CC1=CC2=C(C=C1)N=C(N2)CC#N

InChI

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

InChIKey

PDULDINSGIRDOX-UHFFFAOYSA-N

Compound name

2-(6-methyl-1H-benzimidazol-2-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 171.07965 Da
Monoisotopic Mass: 1.5
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]+	172.086926	136.8
[M+Na]+	194.068868	149.2
[M-H]-	170.072374	137.0
[M+NH4]+	189.113473	154.8
[M+K]+	210.042808	143.5
[M+H-H2O]+	154.076910	123.1
[M+HCOO]-	216.077851	155.1
[M+CH3COO]-	230.093501	148.7
[M+Na-2H]-	192.054316	143.2
[M]+	171.07910142	132.4
[M]-	171.08019858	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe