PubChemLite - Pe(15:0/16:1(9z)) (C36H70NO8P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCC

InChI

InChI=1S/C36H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37)32-42-35(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,34H,3-12,14,16-33,37H2,1-2H3,(H,40,41)/b15-13-/t34-/m1/s1

InChIKey

YMEQXDCYZVOOFR-NOLSVFIGSA-N

Compound name

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (Z)-hexadec-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]+	676.49118	265.6
[M+Na]+	698.47312	269.1
[M-H]-	674.47662	257.9
[M+NH4]+	693.51772	270.1
[M+K]+	714.44706	269.0
[M+H-H2O]+	658.48116	255.9
[M+HCOO]-	720.48210	267.1
[M+CH3COO]-	734.49775	276.3
[M+Na-2H]-	696.45857	245.8
[M]+	675.48335	261.7
[M]-	675.48445	261.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

676.49118

265.6

[M+Na]+

698.47312

269.1

[M-H]-

674.47662

257.9

[M+NH4]+

693.51772

270.1

[M+K]+

714.44706

269.0

[M+H-H2O]+

658.48116

255.9

[M+HCOO]-

720.48210

267.1

[M+CH3COO]-

734.49775

276.3

[M+Na-2H]-

696.45857

245.8

[M]+

675.48335

261.7

[M]-

675.48445

261.7

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

Pe(15:0/16:1(9z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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