PubChemLite - Pe(p-18:1(11z)/24:1(15z)) (C47H90NO7P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C47H90NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)55-46(45-54-56(50,51)53-43-41-48)44-52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,39,42,46H,3-13,15,18,20-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b16-14-,19-17-,42-39-/t46-/m1/s1

InChIKey

KUJJOMSCJCRRTF-BDWKZNQPSA-N

Compound name

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1Z,11Z)-octadeca-1,11-dienoxy]propan-2-yl] (Z)-tetracos-15-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]+	812.65278	296.2
[M+Na]+	834.63472	299.6
[M+NH4]+	829.67932	299.5
[M+K]+	850.60866	300.8
[M-H]-	810.63822	283.1
[M+Na-2H]-	832.62017	293.6
[M]+	811.64495	294.1
[M]-	811.64605	294.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

812.65278

296.2

[M+Na]+

834.63472

299.6

[M+NH4]+

829.67932

299.5

[M+K]+

850.60866

300.8

[M-H]-

810.63822

283.1

[M+Na-2H]-

832.62017

293.6

[M]+

811.64495

294.1

[M]-

811.64605

294.1

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

Pe(p-18:1(11z)/24:1(15z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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