CID 118904

Caprylyl hydroxyethyl imidazoline

Structural Information

Molecular Formula

C₁₂H₂₄N₂O

SMILES

CCCCCCCC1=NCCN1CCO

InChI

InChI=1S/C12H24N2O/c1-2-3-4-5-6-7-12-13-8-9-14(12)10-11-15/h15H,2-11H2,1H3

InChIKey

MTEKQDXWVXZMDN-UHFFFAOYSA-N

Compound name

2-(2-heptyl-4,5-dihydroimidazol-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 114
Patents: 212.18886 Da
Monoisotopic Mass: 1.7
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]+	213.19614	153.8
[M+Na]+	235.17808	159.2
[M-H]-	211.18158	152.2
[M+NH4]+	230.22268	171.1
[M+K]+	251.15202	156.5
[M+H-H2O]+	195.18612	146.1
[M+HCOO]-	257.18706	172.7
[M+CH3COO]-	271.20271	186.7
[M+Na-2H]-	233.16353	155.7
[M]+	212.18831	155.0
[M]-	212.18941	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe