PubChemLite - Pe(p-16:0/16:0) (C37H74NO7P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCC)COP(=O)(O)OCCN

InChI

InChI=1S/C37H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32,36H,3-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b32-29-/t36-/m1/s1

InChIKey

FDULCEKAOVWBTQ-PXOIRPRXSA-N

Compound name

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] hexadecanoate

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]+	676.52754	268.4
[M+Na]+	698.50948	271.1
[M-H]-	674.51298	257.3
[M+NH4]+	693.55408	270.2
[M+K]+	714.48342	271.5
[M+H-H2O]+	658.51752	257.8
[M+HCOO]-	720.51846	271.1
[M+CH3COO]-	734.53411	277.9
[M+Na-2H]-	696.49493	247.5
[M]+	675.51971	263.9
[M]-	675.52081	263.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

676.52754

268.4

[M+Na]+

698.50948

271.1

[M-H]-

674.51298

257.3

[M+NH4]+

693.55408

270.2

[M+K]+

714.48342

271.5

[M+H-H2O]+

658.51752

257.8

[M+HCOO]-

720.51846

271.1

[M+CH3COO]-

734.53411

277.9

[M+Na-2H]-

696.49493

247.5

[M]+

675.51971

263.9

[M]-

675.52081

263.9

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

Pe(p-16:0/16:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe