PubChemLite - Lysopc(18:3) (C26H49NO7P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3/p+1/b7-6-,10-9-,13-12-/t25-/m1/s1

InChIKey

WKQNRCYKYCKESD-YVHLTTHBSA-O

Compound name

2-[hydroxy-[(2R)-2-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]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]+	519.33193	227.6
[M+Na]+	541.31387	232.7
[M+NH4]+	536.35847	200.0
[M+K]+	557.28781	240.1
[M-H]-	517.31737	222.9
[M+Na-2H]-	539.29932	221.0
[M]+	518.32410	229.0
[M]-	518.32520	229.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

519.33193

227.6

[M+Na]+

541.31387

232.7

[M+NH4]+

536.35847

200.0

[M+K]+

557.28781

240.1

[M-H]-

517.31737

222.9

[M+Na-2H]-

539.29932

221.0

[M]+

518.32410

229.0

[M]-

518.32520

229.0

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

Lysopc(18:3)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe