CID 168189

24625-03-4

Structural Information

Molecular Formula

C₂₀H₄₄NO

SMILES

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

InChI

InChI=1S/C20H44NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,3)19-20-22/h22H,4-20H2,1-3H3/q+1

InChIKey

UENRCAFKOCYSLM-UHFFFAOYSA-N

Compound name

hexadecyl-(2-hydroxyethyl)-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 1909
Patents: 314.3423 Da
Monoisotopic Mass: 7.3
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]+	315.34958	188.1
[M+Na]+	337.33152	189.1
[M-H]-	313.33502	186.2
[M+NH4]+	332.37612	202.8
[M+K]+	353.30546	180.4
[M+H-H2O]+	297.33956	184.2
[M+HCOO]-	359.34050	206.5
[M+CH3COO]-	373.35615	210.2
[M+Na-2H]-	335.31697	191.0
[M]+	314.34175	193.1
[M]-	314.34285	193.1

Literature stripe

literature stripe

Patent stripe

patents stripe