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: 33
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]+	227.21179	158.2
[M+Na]+	249.19373	163.3
[M-H]-	225.19723	156.5
[M+NH4]+	244.23833	175.0
[M+K]+	265.16767	160.3
[M+H-H2O]+	209.20177	150.3
[M+HCOO]-	271.20271	176.8
[M+CH3COO]-	285.21836	189.7
[M+Na-2H]-	247.17918	159.6
[M]+	226.20396	159.8
[M]-	226.20506	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe