PubChemLite - Didecanoylphosphatidylserine (C26H50NO10P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCC

InChI

InChI=1S/C26H50NO10P/c1-3-5-7-9-11-13-15-17-24(28)34-19-22(20-35-38(32,33)36-21-23(27)26(30)31)37-25(29)18-16-14-12-10-8-6-4-2/h22-23H,3-21,27H2,1-2H3,(H,30,31)(H,32,33)/t22-,23+/m1/s1

InChIKey

LRIPXDCMGANCAE-PKTZIBPZSA-N

Compound name

(2S)-2-amino-3-[[(2R)-2,3-di(decanoyloxy)propoxy]-hydroxyphosphoryl]oxypropanoic acid

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]+	568.32454	235.7
[M+Na]+	590.30648	239.7
[M-H]-	566.30998	235.4
[M+NH4]+	585.35108	242.6
[M+K]+	606.28042	236.5
[M+H-H2O]+	550.31452	227.2
[M+HCOO]-	612.31546	234.3
[M+CH3COO]-	626.33111	252.4
[M+Na-2H]-	588.29193	219.8
[M]+	567.31671	231.7
[M]-	567.31781	231.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

568.32454

235.7

[M+Na]+

590.30648

239.7

[M-H]-

566.30998

235.4

[M+NH4]+

585.35108

242.6

[M+K]+

606.28042

236.5

[M+H-H2O]+

550.31452

227.2

[M+HCOO]-

612.31546

234.3

[M+CH3COO]-

626.33111

252.4

[M+Na-2H]-

588.29193

219.8

[M]+

567.31671

231.7

[M]-

567.31781

231.7

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

Didecanoylphosphatidylserine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe