PubChemLite - Lpc(o-18:2(1z,9z)) (C26H53NO6P)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O

InChI

InChI=1S/C26H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h12-13,20,22,26,28H,5-11,14-19,21,23-25H2,1-4H3/p+1/b13-12-,22-20-/t26-/m1/s1

InChIKey

KJUNGQXFZYMUOH-FKWLWHCOSA-O

Compound name

2-[hydroxy-[(2R)-2-hydroxy-3-[(1Z,9Z)-octadeca-1,9-dienoxy]propoxy]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]+	507.36833	229.8
[M+Na]+	529.35027	233.1
[M-H]-	505.35377	224.0
[M+NH4]+	524.39487	231.2
[M+K]+	545.32421	228.7
[M+H-H2O]+	489.35831	214.0
[M+HCOO]-	551.35925	243.9
[M+CH3COO]-	565.37490	237.9
[M+Na-2H]-	527.33572	213.6
[M]+	506.36050	225.7
[M]-	506.36160	225.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.36833

229.8

[M+Na]+

529.35027

233.1

[M-H]-

505.35377

224.0

[M+NH4]+

524.39487

231.2

[M+K]+

545.32421

228.7

[M+H-H2O]+

489.35831

214.0

[M+HCOO]-

551.35925

243.9

[M+CH3COO]-

565.37490

237.9

[M+Na-2H]-

527.33572

213.6

[M]+

506.36050

225.7

[M]-

506.36160

225.7

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

Lpc(o-18:2(1z,9z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe