PubChemLite - Pc(11:0/22:0) (C41H83NO8P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C41H82NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-15-13-11-9-7-2/h39H,6-38H2,1-5H3/p+1/t39-/m1/s1

InChIKey

LDFNJDAPTPJKTN-LDLOPFEMSA-O

Compound name

2-[[(2R)-2-docosanoyloxy-3-undecanoyloxypropoxy]-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]+	749.59291	286.2
[M+Na]+	771.57485	287.6
[M-H]-	747.57835	279.5
[M+NH4]+	766.61945	294.2
[M+K]+	787.54879	290.3
[M+H-H2O]+	731.58289	271.3
[M+HCOO]-	793.58383	290.9
[M+CH3COO]-	807.59948	286.3
[M+Na-2H]-	769.56030	264.9
[M]+	748.58508	284.7
[M]-	748.58618	284.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

749.59291

286.2

[M+Na]+

771.57485

287.6

[M-H]-

747.57835

279.5

[M+NH4]+

766.61945

294.2

[M+K]+

787.54879

290.3

[M+H-H2O]+

731.58289

271.3

[M+HCOO]-

793.58383

290.9

[M+CH3COO]-

807.59948

286.3

[M+Na-2H]-

769.56030

264.9

[M]+

748.58508

284.7

[M]-

748.58618

284.7

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

Pc(11:0/22:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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