PubChemLite - Pg(18:3(9z,12z,15z)/0:0) (C24H43O9P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H43O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25/h3-4,6-7,9-10,22-23,25-27H,2,5,8,11-21H2,1H3,(H,29,30)/b4-3-,7-6-,10-9-/t22-,23+/m0/s1

InChIKey

AZCURGXIIHFART-RDJXZBMQSA-N

Compound name

[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

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]+	507.27175	219.2
[M+Na]+	529.25369	220.9
[M-H]-	505.25719	214.5
[M+NH4]+	524.29829	220.1
[M+K]+	545.22763	216.8
[M+H-H2O]+	489.26173	209.0
[M+HCOO]-	551.26267	224.0
[M+CH3COO]-	565.27832	232.0
[M+Na-2H]-	527.23914	203.1
[M]+	506.26392	214.7
[M]-	506.26502	214.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.27175

219.2

[M+Na]+

529.25369

220.9

[M-H]-

505.25719

214.5

[M+NH4]+

524.29829

220.1

[M+K]+

545.22763

216.8

[M+H-H2O]+

489.26173

209.0

[M+HCOO]-

551.26267

224.0

[M+CH3COO]-

565.27832

232.0

[M+Na-2H]-

527.23914

203.1

[M]+

506.26392

214.7

[M]-

506.26502

214.7

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

Pg(18:3(9z,12z,15z)/0:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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