PubChemLite - Lpa 22:6 (C25H39O7P)

Structural Information

Molecular Formula

SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(COP(=O)(O)O)O

InChI

InChI=1S/C25H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h3-4,6-7,9-10,12-13,15-16,18-19,24,26H,2,5,8,11,14,17,20-23H2,1H3,(H2,28,29,30)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-

InChIKey

UWHSPTWBPTXYMF-KUBAVDMBSA-N

Compound name

(2-hydroxy-3-phosphonooxypropyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

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]+	483.25063	211.2
[M+Na]+	505.23257	216.2
[M-H]-	481.23607	206.4
[M+NH4]+	500.27717	212.5
[M+K]+	521.20651	210.8
[M+H-H2O]+	465.24061	201.5
[M+HCOO]-	527.24155	222.4
[M+CH3COO]-	541.25720	227.9
[M+Na-2H]-	503.21802	197.4
[M]+	482.24280	206.6
[M]-	482.24390	206.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.25063

211.2

[M+Na]+

505.23257

216.2

[M-H]-

481.23607

206.4

[M+NH4]+

500.27717

212.5

[M+K]+

521.20651

210.8

[M+H-H2O]+

465.24061

201.5

[M+HCOO]-

527.24155

222.4

[M+CH3COO]-

541.25720

227.9

[M+Na-2H]-

503.21802

197.4

[M]+

482.24280

206.6

[M]-

482.24390

206.6

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

Lpa 22:6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe