Gpcho(16:1n7/18:1n7) (C42H81NO8P)

Structural Information

Molecular Formula

SMILES

CCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h16-19,40H,6-15,20-39H2,1-5H3/p+1/b18-16-,19-17-/t40-/m1/s1

InChIKey

JUVGBPLHSDPAMK-JSLHZOBYSA-O

Compound name

2-[[(2R)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]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]+	759.577276	285.0
[M+Na]+	781.559218	287.4
[M-H]-	757.562724	279.6
[M+NH4]+	776.603823	293.6
[M+K]+	797.533158	289.6
[M+H-H2O]+	741.567260	270.1
[M+HCOO]-	803.568201	291.0
[M+CH3COO]-	817.583851	286.1
[M+Na-2H]-	779.544666	264.3
[M]+	758.56945142	283.1
[M]-	758.57054858	283.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

759.577276

285.0

[M+Na]+

781.559218

287.4

[M-H]-

757.562724

279.6

[M+NH4]+

776.603823

293.6

[M+K]+

797.533158

289.6

[M+H-H2O]+

741.567260

270.1

[M+HCOO]-

803.568201

291.0

[M+CH3COO]-

817.583851

286.1

[M+Na-2H]-

779.544666

264.3

[M]+

758.56945142

283.1

[M]-

758.57054858

283.1

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

Gpcho(16:1n7/18:1n7)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe