PubChemLite - Pg(p-20:0/0:0) (C26H53O8P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H53O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32-22-26(29)24-34-35(30,31)33-23-25(28)21-27/h19-20,25-29H,2-18,21-24H2,1H3,(H,30,31)/b20-19-/t25-,26+/m0/s1

InChIKey

SWMIHWCPUTVGEX-JQDZGVMXSA-N

Compound name

[(2S)-2,3-dihydroxypropyl] [(2R)-2-hydroxy-3-[(Z)-icos-1-enoxy]propyl] hydrogen phosphate

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]+	525.35508	229.7
[M+Na]+	547.33702	229.3
[M-H]-	523.34052	219.6
[M+NH4]+	542.38162	227.2
[M+K]+	563.31096	227.0
[M+H-H2O]+	507.34506	218.4
[M+HCOO]-	569.34600	233.5
[M+CH3COO]-	583.36165	239.0
[M+Na-2H]-	545.32247	211.0
[M]+	524.34725	225.1
[M]-	524.34835	225.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

525.35508

229.7

[M+Na]+

547.33702

229.3

[M-H]-

523.34052

219.6

[M+NH4]+

542.38162

227.2

[M+K]+

563.31096

227.0

[M+H-H2O]+

507.34506

218.4

[M+HCOO]-

569.34600

233.5

[M+CH3COO]-

583.36165

239.0

[M+Na-2H]-

545.32247

211.0

[M]+

524.34725

225.1

[M]-

524.34835

225.1

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

Pg(p-20:0/0:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe