CID 3015660

1-hexylimidazole

Structural Information

Molecular Formula

C₉H₁₆N₂

SMILES

CCCCCCN1C=CN=C1

InChI

InChI=1S/C9H16N2/c1-2-3-4-5-7-11-8-6-10-9-11/h6,8-9H,2-5,7H2,1H3

InChIKey

KGWVFQAPOGAVRF-UHFFFAOYSA-N

Compound name

1-hexylimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 977
Patents: 152.13135 Da
Monoisotopic Mass: 2.3
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]+	153.138626	134.6
[M+Na]+	175.120568	142.0
[M-H]-	151.124074	135.0
[M+NH4]+	170.165173	155.0
[M+K]+	191.094508	140.4
[M+H-H2O]+	135.128610	127.2
[M+HCOO]-	197.129551	157.3
[M+CH3COO]-	211.145201	177.0
[M+Na-2H]-	173.106016	140.4
[M]+	152.13080142	136.3
[M]-	152.13189858	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe