PubChemLite - Pg(19:1(9z)/0:0) (C25H49O9P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H49O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)32-20-24(28)22-34-35(30,31)33-21-23(27)19-26/h10-11,23-24,26-28H,2-9,12-22H2,1H3,(H,30,31)/b11-10-/t23-,24+/m0/s1

InChIKey

XEYMIBOUJRVPFY-GDAYGPEISA-N

Compound name

[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (Z)-nonadec-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]+	525.31868	227.3
[M+Na]+	547.30062	227.6
[M-H]-	523.30412	220.5
[M+NH4]+	542.34522	227.5
[M+K]+	563.27456	224.8
[M+H-H2O]+	507.30866	216.8
[M+HCOO]-	569.30960	229.9
[M+CH3COO]-	583.32525	237.6
[M+Na-2H]-	545.28607	209.6
[M]+	524.31085	223.1
[M]-	524.31195	223.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

525.31868

227.3

[M+Na]+

547.30062

227.6

[M-H]-

523.30412

220.5

[M+NH4]+

542.34522

227.5

[M+K]+

563.27456

224.8

[M+H-H2O]+

507.30866

216.8

[M+HCOO]-

569.30960

229.9

[M+CH3COO]-

583.32525

237.6

[M+Na-2H]-

545.28607

209.6

[M]+

524.31085

223.1

[M]-

524.31195

223.1

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

Pg(19:1(9z)/0:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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