PubChemLite - Pc(p-16:0/16:0) (C40H81NO7P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C40H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h32,35,39H,6-31,33-34,36-38H2,1-5H3/p+1/b35-32-/t39-/m1/s1

InChIKey

PEWXKAOBUSBJLD-MCBGMKGZSA-O

Compound name

2-[[(2R)-2-hexadecanoyloxy-3-[(Z)-hexadec-1-enoxy]propoxy]-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]+	719.58238	280.9
[M+Na]+	741.56432	283.1
[M+NH4]+	736.60892	254.2
[M+K]+	757.53826	287.8
[M-H]-	717.56782	274.7
[M+Na-2H]-	739.54977	268.8
[M]+	718.57455	280.6
[M]-	718.57565	280.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

719.58238

280.9

[M+Na]+

741.56432

283.1

[M+NH4]+

736.60892

254.2

[M+K]+

757.53826

287.8

[M-H]-

717.56782

274.7

[M+Na-2H]-

739.54977

268.8

[M]+

718.57455

280.6

[M]-

718.57565

280.6

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

Pc(p-16:0/16:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe