CID 284016

51314-51-3

Structural Information

Molecular Formula

C₁₁H₁₅N₃

SMILES

CCCCNC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C11H15N3/c1-2-3-8-12-11-13-9-6-4-5-7-10(9)14-11/h4-7H,2-3,8H2,1H3,(H2,12,13,14)

InChIKey

OKKUCNXCFWODOE-UHFFFAOYSA-N

Compound name

N-butyl-1H-benzimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 11
Patents: 189.1266 Da
Monoisotopic Mass: 2.8
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]+	190.13388	141.1
[M+Na]+	212.11582	153.6
[M+NH4]+	207.16042	149.5
[M+K]+	228.08976	148.0
[M-H]-	188.11932	142.9
[M+Na-2H]-	210.10127	147.8
[M]+	189.12605	143.2
[M]-	189.12715	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe