PubChemLite - Pc(15:0/p-18:0) (C41H83NO7P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC/C=C\OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C41H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42(3,4)5)38-47-41(43)34-32-30-28-26-24-19-17-15-13-11-9-7-2/h33,36,40H,6-32,34-35,37-39H2,1-5H3/p+1/b36-33-

InChIKey

FZEIOAGQYWVXTC-NECWGFRUSA-O

Compound name

2-[hydroxy-[2-[(Z)-octadec-1-enoxy]-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]+	733.59798	284.5
[M+Na]+	755.57992	285.9
[M-H]-	731.58342	275.6
[M+NH4]+	750.62452	290.1
[M+K]+	771.55386	288.2
[M+H-H2O]+	715.58796	268.9
[M+HCOO]-	777.58890	291.8
[M+CH3COO]-	791.60455	284.4
[M+Na-2H]-	753.56537	262.8
[M]+	732.59015	282.1
[M]-	732.59125	282.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

733.59798

284.5

[M+Na]+

755.57992

285.9

[M-H]-

731.58342

275.6

[M+NH4]+

750.62452

290.1

[M+K]+

771.55386

288.2

[M+H-H2O]+

715.58796

268.9

[M+HCOO]-

777.58890

291.8

[M+CH3COO]-

791.60455

284.4

[M+Na-2H]-

753.56537

262.8

[M]+

732.59015

282.1

[M]-

732.59125

282.1

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

Pc(15:0/p-18:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe