PubChemLite - Pg(17:1(9z)/16:1(9z)) (C39H73O10P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C39H73O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-38(42)46-34-37(35-48-50(44,45)47-33-36(41)32-40)49-39(43)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14-17,36-37,40-41H,3-13,18-35H2,1-2H3,(H,44,45)/b16-14-,17-15-/t36-,37+/m0/s1

InChIKey

VHCFOXWHBIUJJP-MQBWKQMVSA-N

Compound name

[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] (Z)-heptadec-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]+	733.50142	276.5
[M+Na]+	755.48336	276.6
[M-H]-	731.48686	268.6
[M+NH4]+	750.52796	281.7
[M+K]+	771.45730	279.0
[M+H-H2O]+	715.49140	266.5
[M+HCOO]-	777.49234	274.4
[M+CH3COO]-	791.50799	278.1
[M+Na-2H]-	753.46881	254.8
[M]+	732.49359	275.0
[M]-	732.49469	275.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

733.50142

276.5

[M+Na]+

755.48336

276.6

[M-H]-

731.48686

268.6

[M+NH4]+

750.52796

281.7

[M+K]+

771.45730

279.0

[M+H-H2O]+

715.49140

266.5

[M+HCOO]-

777.49234

274.4

[M+CH3COO]-

791.50799

278.1

[M+Na-2H]-

753.46881

254.8

[M]+

732.49359

275.0

[M]-

732.49469

275.0

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

Pg(17:1(9z)/16:1(9z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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