CID 452642

119980-18-6

Structural Information

Molecular Formula

C₂₂H₄₈NO₂

SMILES

CCCCCCCCCCCCCCCCOCC[N+](C)(C)CCO

InChI

InChI=1S/C22H48NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-22-19-23(2,3)18-20-24/h24H,4-22H2,1-3H3/q+1

InChIKey

OLJCTSXIXRYDJG-UHFFFAOYSA-N

Compound name

2-hexadecoxyethyl-(2-hydroxyethyl)-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 657
Patents: 358.3685 Da
Monoisotopic Mass: 7.2
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]+	359.37578	200.3
[M+Na]+	381.35772	200.4
[M-H]-	357.36122	198.0
[M+NH4]+	376.40232	216.4
[M+K]+	397.33166	191.6
[M+H-H2O]+	341.36576	195.8
[M+HCOO]-	403.36670	235.7
[M+CH3COO]-	417.38235	217.9
[M+Na-2H]-	379.34317	202.4
[M]+	358.36795	207.5
[M]-	358.36905	207.5

Literature stripe

literature stripe

Patent stripe

patents stripe