CID 410458

1-butylbenzimidazole

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CCCCN1C=NC2=CC=CC=C21

InChI

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

InChIKey

SHPPDRZENGVOOR-UHFFFAOYSA-N

Compound name

1-butylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 832
Patents: 174.11569 Da
Monoisotopic Mass: 2.6
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]+	175.122966	136.9
[M+Na]+	197.104908	147.0
[M-H]-	173.108414	139.1
[M+NH4]+	192.149513	157.8
[M+K]+	213.078848	143.5
[M+H-H2O]+	157.112950	129.6
[M+HCOO]-	219.113891	160.4
[M+CH3COO]-	233.129541	150.9
[M+Na-2H]-	195.090356	144.9
[M]+	174.11514142	140.0
[M]-	174.11623858	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe