PubChemLite - Dimyristoylphosphatidylcholine (C36H73NO8P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/p+1/t34-/m1/s1

InChIKey

CITHEXJVPOWHKC-UUWRZZSWSA-O

Compound name

2-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Related CIDs

2D Structure

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]+	679.51468	269.3
[M+Na]+	701.49662	272.4
[M+NH4]+	696.54122	245.6
[M+K]+	717.47056	277.6
[M-H]-	677.50012	263.8
[M+Na-2H]-	699.48207	258.6
[M]+	678.50685	269.6
[M]-	678.50795	269.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

679.51468

269.3

[M+Na]+

701.49662

272.4

[M+NH4]+

696.54122

245.6

[M+K]+

717.47056

277.6

[M-H]-

677.50012

263.8

[M+Na-2H]-

699.48207

258.6

[M]+

678.50685

269.6

[M]-

678.50795

269.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Dimyristoylphosphatidylcholine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe