PubChemLite - Pg(0:0/18:2) (C24H45O9P)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCC(CO)O

InChI

InChI=1S/C24H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)33-23(19-26)21-32-34(29,30)31-20-22(27)18-25/h6-7,9-10,22-23,25-27H,2-5,8,11-21H2,1H3,(H,29,30)/b7-6-,10-9-/t22?,23-/m1/s1

InChIKey

MVDCGKKOEGAXNP-YRYRTBPBSA-N

Compound name

[(2R)-1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate

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]+	509.28740	221.4
[M+Na]+	531.26934	222.5
[M-H]-	507.27284	215.9
[M+NH4]+	526.31394	222.0
[M+K]+	547.24328	218.9
[M+H-H2O]+	491.27738	211.1
[M+HCOO]-	553.27832	225.3
[M+CH3COO]-	567.29397	233.4
[M+Na-2H]-	529.25479	204.8
[M]+	508.27957	217.0
[M]-	508.28067	217.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

509.28740

221.4

[M+Na]+

531.26934

222.5

[M-H]-

507.27284

215.9

[M+NH4]+

526.31394

222.0

[M+K]+

547.24328

218.9

[M+H-H2O]+

491.27738

211.1

[M+HCOO]-

553.27832

225.3

[M+CH3COO]-

567.29397

233.4

[M+Na-2H]-

529.25479

204.8

[M]+

508.27957

217.0

[M]-

508.28067

217.0

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

Pg(0:0/18:2)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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