PubChemLite - Pc(9:0/23:0) (C40H81NO8P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C40H80NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-40(43)49-38(36-46-39(42)32-30-28-13-11-9-7-2)37-48-50(44,45)47-35-34-41(3,4)5/h38H,6-37H2,1-5H3/p+1/t38-/m1/s1

InChIKey

HVWSSWJXFOIYDD-KXQOOQHDSA-O

Compound name

2-[hydroxy-[(2R)-3-nonanoyloxy-2-tricosanoyloxypropoxy]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]+	735.57728	283.0
[M+Na]+	757.55922	284.5
[M-H]-	733.56272	276.6
[M+NH4]+	752.60382	290.9
[M+K]+	773.53316	286.8
[M+H-H2O]+	717.56726	268.2
[M+HCOO]-	779.56820	288.1
[M+CH3COO]-	793.58385	283.7
[M+Na-2H]-	755.54467	262.0
[M]+	734.56945	281.4
[M]-	734.57055	281.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

735.57728

283.0

[M+Na]+

757.55922

284.5

[M-H]-

733.56272

276.6

[M+NH4]+

752.60382

290.9

[M+K]+

773.53316

286.8

[M+H-H2O]+

717.56726

268.2

[M+HCOO]-

779.56820

288.1

[M+CH3COO]-

793.58385

283.7

[M+Na-2H]-

755.54467

262.0

[M]+

734.56945

281.4

[M]-

734.57055

281.4

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

Pc(9:0/23:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe