PubChemLite - Chebi:145178 (C41H82NO7P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C41H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,40H,3-17,19,21-39,42H2,1-2H3,(H,44,45)/b20-18-/t40-/m1/s1

InChIKey

CEVVUBCHWNKKNN-VDLQPGGRSA-N

Compound name

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadecoxypropan-2-yl] (Z)-octadec-9-enoate

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]+	732.59018	281.0
[M+Na]+	754.57212	284.0
[M+NH4]+	749.61672	284.5
[M+K]+	770.54606	284.3
[M-H]-	730.57562	268.3
[M+Na-2H]-	752.55757	279.4
[M]+	731.58235	278.7
[M]-	731.58345	278.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

732.59018

281.0

[M+Na]+

754.57212

284.0

[M+NH4]+

749.61672

284.5

[M+K]+

770.54606

284.3

[M-H]-

730.57562

268.3

[M+Na-2H]-

752.55757

279.4

[M]+

731.58235

278.7

[M]-

731.58345

278.7

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

Chebi:145178

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe