PubChemLite - Pg(18:0/0:0) (C24H49O9P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)O

InChI

InChI=1S/C24H49O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25/h22-23,25-27H,2-21H2,1H3,(H,29,30)/t22-,23+/m0/s1

InChIKey

HFJVKBVEKQHVTO-XZOQPEGZSA-N

Compound name

[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] octadecanoate

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]+	513.31868	226.2
[M+Na]+	535.30062	226.0
[M-H]-	511.30412	218.9
[M+NH4]+	530.34522	226.0
[M+K]+	551.27456	223.3
[M+H-H2O]+	495.30866	215.7
[M+HCOO]-	557.30960	228.3
[M+CH3COO]-	571.32525	236.1
[M+Na-2H]-	533.28607	208.4
[M]+	512.31085	222.1
[M]-	512.31195	222.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.31868

226.2

[M+Na]+

535.30062

226.0

[M-H]-

511.30412

218.9

[M+NH4]+

530.34522

226.0

[M+K]+

551.27456

223.3

[M+H-H2O]+

495.30866

215.7

[M+HCOO]-

557.30960

228.3

[M+CH3COO]-

571.32525

236.1

[M+Na-2H]-

533.28607

208.4

[M]+

512.31085

222.1

[M]-

512.31195

222.1

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

Pg(18:0/0:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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