PubChemLite - Paz-pc (C33H65NO10P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC(=O)O

InChI

InChI=1S/C33H64NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-32(37)41-28-30(29-43-45(39,40)42-27-26-34(2,3)4)44-33(38)25-22-19-16-17-20-23-31(35)36/h30H,5-29H2,1-4H3,(H-,35,36,39,40)/p+1/t30-/m1/s1

InChIKey

GHQQYDSARXURNG-SSEXGKCCSA-O

Compound name

2-[[(2R)-2-(8-carboxyoctanoyloxy)-3-hexadecanoyloxypropoxy]-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]+	667.44191	260.2
[M+Na]+	689.42385	262.0
[M-H]-	665.42735	259.4
[M+NH4]+	684.46845	269.3
[M+K]+	705.39779	261.4
[M+H-H2O]+	649.43189	245.9
[M+HCOO]-	711.43283	264.4
[M+CH3COO]-	725.44848	265.5
[M+Na-2H]-	687.40930	241.9
[M]+	666.43408	258.3
[M]-	666.43518	258.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

667.44191

260.2

[M+Na]+

689.42385

262.0

[M-H]-

665.42735

259.4

[M+NH4]+

684.46845

269.3

[M+K]+

705.39779

261.4

[M+H-H2O]+

649.43189

245.9

[M+HCOO]-

711.43283

264.4

[M+CH3COO]-

725.44848

265.5

[M+Na-2H]-

687.40930

241.9

[M]+

666.43408

258.3

[M]-

666.43518

258.3

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

Paz-pc

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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