CID 77964

Surfactive v 14

Structural Information

Molecular Formula

C₁₉H₄₀NO₂

SMILES

CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C

InChI

InChI=1S/C19H40NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-19(21)22-18-17-20(2,3)4/h5-18H2,1-4H3/q+1

InChIKey

HYPHVSJUVHDHIL-UHFFFAOYSA-N

Compound name

trimethyl(2-tetradecanoyloxyethyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 541
Patents: 314.3059 Da
Monoisotopic Mass: 6.4
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]+	315.31318	182.7
[M+Na]+	337.29512	191.7
[M+NH4]+	332.33972	189.5
[M+K]+	353.26906	185.1
[M-H]-	313.29862	183.5
[M+Na-2H]-	335.28057	184.6
[M]+	314.30535	184.4
[M]-	314.30645	184.4

Literature stripe

literature stripe

Patent stripe

patents stripe