PubChemLite - Pg(20:1(11z)/0:0) (C26H51O9P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H51O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(30)33-21-25(29)23-35-36(31,32)34-22-24(28)20-27/h9-10,24-25,27-29H,2-8,11-23H2,1H3,(H,31,32)/b10-9-/t24-,25+/m0/s1

InChIKey

DSSLARKCOKEORS-BOGITLEOSA-N

Compound name

[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (Z)-icos-11-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]+	539.33438	230.8
[M+Na]+	561.31632	230.9
[M-H]-	537.31982	223.7
[M+NH4]+	556.36092	231.0
[M+K]+	577.29026	228.6
[M+H-H2O]+	521.32436	220.2
[M+HCOO]-	583.32530	233.0
[M+CH3COO]-	597.34095	240.4
[M+Na-2H]-	559.30177	212.7
[M]+	538.32655	226.6
[M]-	538.32765	226.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

539.33438

230.8

[M+Na]+

561.31632

230.9

[M-H]-

537.31982

223.7

[M+NH4]+

556.36092

231.0

[M+K]+

577.29026

228.6

[M+H-H2O]+

521.32436

220.2

[M+HCOO]-

583.32530

233.0

[M+CH3COO]-

597.34095

240.4

[M+Na-2H]-

559.30177

212.7

[M]+

538.32655

226.6

[M]-

538.32765

226.6

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

Pg(20:1(11z)/0:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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