CID 117550

Octyl hydroxyethyl imidazoline

Structural Information

Molecular Formula

C₁₃H₂₆N₂O

SMILES

CCCCCCCCC1=NCCN1CCO

InChI

InChI=1S/C13H26N2O/c1-2-3-4-5-6-7-8-13-14-9-10-15(13)11-12-16/h16H,2-12H2,1H3

InChIKey

FLLNQHCNHPZJOY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 226.20451 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]+	227.211786	158.2
[M+Na]+	249.193728	163.3
[M-H]-	225.197234	156.5
[M+NH4]+	244.238333	175.0
[M+K]+	265.167668	160.3
[M+H-H2O]+	209.201770	150.3
[M+HCOO]-	271.202711	176.8
[M+CH3COO]-	285.218361	189.7
[M+Na-2H]-	247.179176	159.6
[M]+	226.20396142	159.8
[M]-	226.20505858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe