PubChemLite - Pc(o-16:1(9e)/0:0) (C24H51NO6P)

Structural Information

Molecular Formula

SMILES

CCCCCC/C=C/CCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O

InChI

InChI=1S/C24H50NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25(2,3)4/h10-11,24,26H,5-9,12-23H2,1-4H3/p+1/b11-10+/t24-/m1/s1

InChIKey

PLQWZMJRHVARFU-NFPSEPLVSA-O

Compound name

2-[[(2R)-3-[(E)-hexadec-9-enoxy]-2-hydroxypropoxy]-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]+	481.35268	225.1
[M+Na]+	503.33462	228.1
[M-H]-	479.33812	219.2
[M+NH4]+	498.37922	226.2
[M+K]+	519.30856	223.3
[M+H-H2O]+	463.34266	209.5
[M+HCOO]-	525.34360	239.2
[M+CH3COO]-	539.35925	233.8
[M+Na-2H]-	501.32007	209.2
[M]+	480.34485	221.3
[M]-	480.34595	221.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.35268

225.1

[M+Na]+

503.33462

228.1

[M-H]-

479.33812

219.2

[M+NH4]+

498.37922

226.2

[M+K]+

519.30856

223.3

[M+H-H2O]+

463.34266

209.5

[M+HCOO]-

525.34360

239.2

[M+CH3COO]-

539.35925

233.8

[M+Na-2H]-

501.32007

209.2

[M]+

480.34485

221.3

[M]-

480.34595

221.3

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

Pc(o-16:1(9e)/0:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe