CID 22122

2-butyl-1h-benzimidazole

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CCCCC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C11H14N2/c1-2-3-8-11-12-9-6-4-5-7-10(9)13-11/h4-7H,2-3,8H2,1H3,(H,12,13)

InChIKey

HITWHALOZBMLHY-UHFFFAOYSA-N

Compound name

2-butyl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 753
Patents: 174.11569 Da
Monoisotopic Mass: 3.0
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]+	175.122966	137.4
[M+Na]+	197.104908	147.0
[M-H]-	173.108414	138.2
[M+NH4]+	192.149513	157.6
[M+K]+	213.078848	142.6
[M+H-H2O]+	157.112950	130.4
[M+HCOO]-	219.113891	159.4
[M+CH3COO]-	233.129541	150.7
[M+Na-2H]-	195.090356	144.9
[M]+	174.11514142	138.6
[M]-	174.11623858	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe