PubChemLite - Pe(20:1(11z)/0:0) (C25H50NO7P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H50NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h9-10,24,27H,2-8,11-23,26H2,1H3,(H,29,30)/b10-9-/t24-/m1/s1

InChIKey

JEAGLCKGAKACCE-OPSAWKISSA-N

Compound name

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (Z)-icos-11-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]+	508.33978	225.5
[M+Na]+	530.32172	229.3
[M-H]-	506.32522	218.6
[M+NH4]+	525.36632	225.2
[M+K]+	546.29566	224.7
[M+H-H2O]+	490.32976	215.1
[M+HCOO]-	552.33070	231.2
[M+CH3COO]-	566.34635	242.1
[M+Na-2H]-	528.30717	209.0
[M]+	507.33195	219.6
[M]-	507.33305	219.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

508.33978

225.5

[M+Na]+

530.32172

229.3

[M-H]-

506.32522

218.6

[M+NH4]+

525.36632

225.2

[M+K]+

546.29566

224.7

[M+H-H2O]+

490.32976

215.1

[M+HCOO]-

552.33070

231.2

[M+CH3COO]-

566.34635

242.1

[M+Na-2H]-

528.30717

209.0

[M]+

507.33195

219.6

[M]-

507.33305

219.6

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

Pe(20:1(11z)/0:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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