PubChemLite - Chebi:142763 (C29H59NO8P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C29H58NO8P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-35-26-28(38-29(32)21-18-19-23-31)27-37-39(33,34)36-25-22-30(2,3)4/h20,24,28,31H,5-19,21-23,25-27H2,1-4H3/p+1/b24-20-/t28-/m1/s1

InChIKey

PADJCGGHQBZCRM-HVHHJAFASA-O

Compound name

2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-(5-hydroxypentanoyloxy)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]+	581.40508	244.5
[M+Na]+	603.38702	246.6
[M-H]-	579.39052	240.3
[M+NH4]+	598.43162	248.8
[M+K]+	619.36096	243.8
[M+H-H2O]+	563.39506	229.1
[M+HCOO]-	625.39600	254.8
[M+CH3COO]-	639.41165	250.7
[M+Na-2H]-	601.37247	226.8
[M]+	580.39725	241.0
[M]-	580.39835	241.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

581.40508

244.5

[M+Na]+

603.38702

246.6

[M-H]-

579.39052

240.3

[M+NH4]+

598.43162

248.8

[M+K]+

619.36096

243.8

[M+H-H2O]+

563.39506

229.1

[M+HCOO]-

625.39600

254.8

[M+CH3COO]-

639.41165

250.7

[M+Na-2H]-

601.37247

226.8

[M]+

580.39725

241.0

[M]-

580.39835

241.0

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

Chebi:142763

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe