PubChemLite - Pg(19:0/0:0) (C25H51O9P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H51O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)32-20-24(28)22-34-35(30,31)33-21-23(27)19-26/h23-24,26-28H,2-22H2,1H3,(H,30,31)/t23-,24+/m0/s1

InChIKey

KEMFFHNVIWFEJX-BJKOFHAPSA-N

Compound name

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

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]+	527.33438	229.7
[M+Na]+	549.31632	229.4
[M-H]-	525.31982	222.1
[M+NH4]+	544.36092	229.5
[M+K]+	565.29026	227.1
[M+H-H2O]+	509.32436	219.1
[M+HCOO]-	571.32530	231.4
[M+CH3COO]-	585.34095	238.9
[M+Na-2H]-	547.30177	211.5
[M]+	526.32655	225.7
[M]-	526.32765	225.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

527.33438

229.7

[M+Na]+

549.31632

229.4

[M-H]-

525.31982

222.1

[M+NH4]+

544.36092

229.5

[M+K]+

565.29026

227.1

[M+H-H2O]+

509.32436

219.1

[M+HCOO]-

571.32530

231.4

[M+CH3COO]-

585.34095

238.9

[M+Na-2H]-

547.30177

211.5

[M]+

526.32655

225.7

[M]-

526.32765

225.7

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

Pg(19:0/0:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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