PubChemLite - Pc(15:0/18:1(11z)) (C41H81NO8P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C41H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-19-17-15-13-11-9-7-2/h16,18,39H,6-15,17,19-38H2,1-5H3/p+1/b18-16-/t39-/m1/s1

InChIKey

GXTATYLPYLLNLV-MGIDVFSBSA-O

Compound name

2-[hydroxy-[(2R)-2-[(Z)-octadec-11-enoyl]oxy-3-pentadecanoyloxypropoxy]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]+	747.57728	283.1
[M+Na]+	769.55922	285.5
[M+NH4]+	764.60382	259.7
[M+K]+	785.53316	290.7
[M-H]-	745.56272	277.3
[M+Na-2H]-	767.54467	271.1
[M]+	746.56945	283.1
[M]-	746.57055	283.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

747.57728

283.1

[M+Na]+

769.55922

285.5

[M+NH4]+

764.60382

259.7

[M+K]+

785.53316

290.7

[M-H]-

745.56272

277.3

[M+Na-2H]-

767.54467

271.1

[M]+

746.56945

283.1

[M]-

746.57055

283.1

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

Pc(15:0/18:1(11z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe