PubChemLite - Pg(15:0/12:0) (C33H65O10P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C33H65O10P/c1-3-5-7-9-11-13-14-15-17-18-20-22-24-32(36)40-28-31(29-42-44(38,39)41-27-30(35)26-34)43-33(37)25-23-21-19-16-12-10-8-6-4-2/h30-31,34-35H,3-29H2,1-2H3,(H,38,39)/t30-,31+/m0/s1

InChIKey

PTPWSDSJXNKQIC-IOWSJCHKSA-N

Compound name

[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-dodecanoyloxypropyl] pentadecanoate

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]+	653.43878	260.9
[M+Na]+	675.42072	260.8
[M-H]-	651.42422	253.6
[M+NH4]+	670.46532	265.5
[M+K]+	691.39466	261.7
[M+H-H2O]+	635.42876	251.3
[M+HCOO]-	697.42970	259.4
[M+CH3COO]-	711.44535	264.4
[M+Na-2H]-	673.40617	240.6
[M]+	652.43095	259.2
[M]-	652.43205	259.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

653.43878

260.9

[M+Na]+

675.42072

260.8

[M-H]-

651.42422

253.6

[M+NH4]+

670.46532

265.5

[M+K]+

691.39466

261.7

[M+H-H2O]+

635.42876

251.3

[M+HCOO]-

697.42970

259.4

[M+CH3COO]-

711.44535

264.4

[M+Na-2H]-

673.40617

240.6

[M]+

652.43095

259.2

[M]-

652.43205

259.2

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

Pg(15:0/12:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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