PubChemLite - Pg(18:0/17:0) (C41H81O10P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C41H81O10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-40(44)48-36-39(37-50-52(46,47)49-35-38(43)34-42)51-41(45)33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h38-39,42-43H,3-37H2,1-2H3,(H,46,47)/t38-,39+/m0/s1

InChIKey

MKMMWGCBZYLDOO-ZESVVUHVSA-N

Compound name

[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-heptadecanoyloxypropyl] 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]+	765.56404	287.5
[M+Na]+	787.54598	286.0
[M-H]-	763.54948	277.1
[M+NH4]+	782.59058	292.0
[M+K]+	803.51992	290.2
[M+H-H2O]+	747.55402	277.1
[M+HCOO]-	809.55496	282.8
[M+CH3COO]-	823.57061	285.6
[M+Na-2H]-	785.53143	263.9
[M]+	764.55621	286.5
[M]-	764.55731	286.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

765.56404

287.5

[M+Na]+

787.54598

286.0

[M-H]-

763.54948

277.1

[M+NH4]+

782.59058

292.0

[M+K]+

803.51992

290.2

[M+H-H2O]+

747.55402

277.1

[M+HCOO]-

809.55496

282.8

[M+CH3COO]-

823.57061

285.6

[M+Na-2H]-

785.53143

263.9

[M]+

764.55621

286.5

[M]-

764.55731

286.5

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

Pg(18:0/17:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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