PubChemLite - Lpe(22:5) (C27H46NO7P)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](CO)COP(=O)(O)OCCN

InChI

InChI=1S/C27H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28/h6-7,9-10,12-13,15-16,18-19,26,29H,2-5,8,11,14,17,20-25,28H2,1H3,(H,31,32)/b7-6-,10-9-,13-12-,16-15-,19-18-/t26-/m1/s1

InChIKey

ZMHRXVSSWJALGN-GOGKNFEWSA-N

Compound name

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate

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]+	528.30848	222.7
[M+Na]+	550.29042	229.0
[M+NH4]+	545.33502	225.8
[M+K]+	566.26436	226.2
[M-H]-	526.29392	218.1
[M+Na-2H]-	548.27587	227.5
[M]+	527.30065	222.5
[M]-	527.30175	222.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

528.30848

222.7

[M+Na]+

550.29042

229.0

[M+NH4]+

545.33502

225.8

[M+K]+

566.26436

226.2

[M-H]-

526.29392

218.1

[M+Na-2H]-

548.27587

227.5

[M]+

527.30065

222.5

[M]-

527.30175

222.5

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

Lpe(22:5)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe