CID 23105636

60964-49-0

Structural Information

Molecular Formula

C₁₂H₂₂N₂

SMILES

CCCCCCCCN1C=CN=C1C

InChI

InChI=1S/C12H22N2/c1-3-4-5-6-7-8-10-14-11-9-13-12(14)2/h9,11H,3-8,10H2,1-2H3

InChIKey

OWOSSTCHCATHMM-UHFFFAOYSA-N

Compound name

2-methyl-1-octylimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 157
Patents: 194.1783 Da
Monoisotopic Mass: 3.8
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]+	195.18558	148.2
[M+Na]+	217.16752	159.5
[M+NH4]+	212.21212	156.0
[M+K]+	233.14146	153.6
[M-H]-	193.17102	148.9
[M+Na-2H]-	215.15297	153.1
[M]+	194.17775	149.9
[M]-	194.17885	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe