PubChemLite - Pg(14:0/18:1(9z)) (C38H73O10P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C38H73O10P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-38(42)48-36(34-47-49(43,44)46-32-35(40)31-39)33-45-37(41)29-27-25-23-21-19-14-12-10-8-6-4-2/h16-17,35-36,39-40H,3-15,18-34H2,1-2H3,(H,43,44)/b17-16-/t35-,36+/m0/s1

InChIKey

GKSUEOBCMJKHAW-XONOHRBRSA-N

Compound name

[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (Z)-octadec-9-enoate

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]+	721.50142	275.4
[M+Na]+	743.48336	275.0
[M-H]-	719.48686	267.0
[M+NH4]+	738.52796	280.3
[M+K]+	759.45730	277.5
[M+H-H2O]+	703.49140	265.4
[M+HCOO]-	765.49234	272.8
[M+CH3COO]-	779.50799	276.6
[M+Na-2H]-	741.46881	253.6
[M]+	720.49359	273.9
[M]-	720.49469	273.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

721.50142

275.4

[M+Na]+

743.48336

275.0

[M-H]-

719.48686

267.0

[M+NH4]+

738.52796

280.3

[M+K]+

759.45730

277.5

[M+H-H2O]+

703.49140

265.4

[M+HCOO]-

765.49234

272.8

[M+CH3COO]-

779.50799

276.6

[M+Na-2H]-

741.46881

253.6

[M]+

720.49359

273.9

[M]-

720.49469

273.9

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

Pg(14:0/18:1(9z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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