PubChemLite - Pc(p-20:0/0:0) (C28H59NO6P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O

InChI

InChI=1S/C28H58NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-33-26-28(30)27-35-36(31,32)34-25-23-29(2,3)4/h22,24,28,30H,5-21,23,25-27H2,1-4H3/p+1/b24-22-/t28-/m1/s1

InChIKey

OYMWPFGOIJUGDE-IIJBQYPZSA-O

Compound name

2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-icos-1-enoxy]propoxy]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]+	537.41528	239.4
[M+Na]+	559.39722	241.7
[M-H]-	535.40072	232.1
[M+NH4]+	554.44182	240.4
[M+K]+	575.37116	238.6
[M+H-H2O]+	519.40526	223.3
[M+HCOO]-	581.40620	251.9
[M+CH3COO]-	595.42185	245.3
[M+Na-2H]-	557.38267	221.8
[M]+	536.40745	235.4
[M]-	536.40855	235.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

537.41528

239.4

[M+Na]+

559.39722

241.7

[M-H]-

535.40072

232.1

[M+NH4]+

554.44182

240.4

[M+K]+

575.37116

238.6

[M+H-H2O]+

519.40526

223.3

[M+HCOO]-

581.40620

251.9

[M+CH3COO]-

595.42185

245.3

[M+Na-2H]-

557.38267

221.8

[M]+

536.40745

235.4

[M]-

536.40855

235.4

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

Pc(p-20:0/0:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe