CID 22123

5851-46-7

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

CCCCCC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C12H16N2/c1-2-3-4-9-12-13-10-7-5-6-8-11(10)14-12/h5-8H,2-4,9H2,1H3,(H,13,14)

InChIKey

OYGJENONTDCXGW-UHFFFAOYSA-N

Compound name

2-pentyl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1241
Patents: 188.13135 Da
Monoisotopic Mass: 3.6
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]+	189.138626	142.0
[M+Na]+	211.120568	151.2
[M-H]-	187.124074	142.6
[M+NH4]+	206.165173	161.7
[M+K]+	227.094508	146.6
[M+H-H2O]+	171.128610	134.8
[M+HCOO]-	233.129551	163.7
[M+CH3COO]-	247.145201	154.9
[M+Na-2H]-	209.106016	149.0
[M]+	188.13080142	143.6
[M]-	188.13189858	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe