PubChemLite - Pc(0:0/18:1(6z)) (C26H53NO7P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCC/C=C\CCCCC(=O)O[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)34-25(23-28)24-33-35(30,31)32-22-21-27(2,3)4/h15-16,25,28H,5-14,17-24H2,1-4H3/p+1/b16-15-/t25-/m1/s1

InChIKey

LXHJYOQXXHUOHA-UPTOSOBMSA-O

Compound name

2-[hydroxy-[(2R)-3-hydroxy-2-[(Z)-octadec-6-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

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]+	523.36324	231.1
[M+Na]+	545.34518	234.4
[M-H]-	521.34868	227.5
[M+NH4]+	540.38978	234.9
[M+K]+	561.31912	230.4
[M+H-H2O]+	505.35322	216.1
[M+HCOO]-	567.35416	242.8
[M+CH3COO]-	581.36981	240.3
[M+Na-2H]-	543.33063	215.3
[M]+	522.35541	227.4
[M]-	522.35651	227.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

523.36324

231.1

[M+Na]+

545.34518

234.4

[M-H]-

521.34868

227.5

[M+NH4]+

540.38978

234.9

[M+K]+

561.31912

230.4

[M+H-H2O]+

505.35322

216.1

[M+HCOO]-

567.35416

242.8

[M+CH3COO]-

581.36981

240.3

[M+Na-2H]-

543.33063

215.3

[M]+

522.35541

227.4

[M]-

522.35651

227.4

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

Pc(0:0/18:1(6z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe