PubChemLite - Pc(o-16:0/17:0) (C41H85NO7P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C41H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42(3,4)5)38-46-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/p+1/t40-/m1/s1

InChIKey

XICKKYKPOSFLFP-RRHRGVEJSA-O

Compound name

2-[[(2R)-2-heptadecanoyloxy-3-hexadecoxypropoxy]-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]+	735.61368	286.9
[M+Na]+	757.59562	287.7
[M-H]-	733.59912	277.2
[M+NH4]+	752.64022	292.2
[M+K]+	773.56956	290.4
[M+H-H2O]+	717.60366	271.2
[M+HCOO]-	779.60460	293.4
[M+CH3COO]-	793.62025	285.9
[M+Na-2H]-	755.58107	264.7
[M]+	734.60585	284.7
[M]-	734.60695	284.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

735.61368

286.9

[M+Na]+

757.59562

287.7

[M-H]-

733.59912

277.2

[M+NH4]+

752.64022

292.2

[M+K]+

773.56956

290.4

[M+H-H2O]+

717.60366

271.2

[M+HCOO]-

779.60460

293.4

[M+CH3COO]-

793.62025

285.9

[M+Na-2H]-

755.58107

264.7

[M]+

734.60585

284.7

[M]-

734.60695

284.7

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

Pc(o-16:0/17:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe