CID 20482080

82410-68-2

Structural Information

Molecular Formula

C₁₀H₁₈N₂

SMILES

CCCCCCN1C=CN=C1C

InChI

InChI=1S/C10H18N2/c1-3-4-5-6-8-12-9-7-11-10(12)2/h7,9H,3-6,8H2,1-2H3

InChIKey

YFSQYUBYYKHCQV-UHFFFAOYSA-N

Compound name

1-hexyl-2-methylimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 165
Patents: 166.147 Da
Monoisotopic Mass: 2.7
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]+	167.154276	138.9
[M+Na]+	189.136218	146.8
[M-H]-	165.139724	139.5
[M+NH4]+	184.180823	159.0
[M+K]+	205.110158	144.9
[M+H-H2O]+	149.144260	131.6
[M+HCOO]-	211.145201	161.2
[M+CH3COO]-	225.160851	181.1
[M+Na-2H]-	187.121666	143.4
[M]+	166.14645142	141.3
[M]-	166.14754858	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe