PubChemLite - Lysopa(18:2(9z,12z)/0:0) (C21H39O7P)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O

InChI

InChI=1S/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h6-7,9-10,20,22H,2-5,8,11-19H2,1H3,(H2,24,25,26)/b7-6-,10-9-

InChIKey

ZQTAMPRZFOOEEP-HZJYTTRNSA-N

Compound name

(2-hydroxy-3-phosphonooxypropyl) (9Z,12Z)-octadeca-9,12-dienoate

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]+	435.25063	206.9
[M+Na]+	457.23257	209.8
[M+NH4]+	452.27717	209.3
[M+K]+	473.20651	206.7
[M-H]-	433.23607	199.7
[M+Na-2H]-	455.21802	211.5
[M]+	434.24280	205.1
[M]-	434.24390	205.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

435.25063

206.9

[M+Na]+

457.23257

209.8

[M+NH4]+

452.27717

209.3

[M+K]+

473.20651

206.7

[M-H]-

433.23607

199.7

[M+Na-2H]-

455.21802

211.5

[M]+

434.24280

205.1

[M]-

434.24390

205.1

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

Lysopa(18:2(9z,12z)/0:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe