CID 129661864

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

Structural Information

Molecular Formula
C21H39O7P
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)COP(=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)28-20(18-22)19-27-29(24,25)26/h6-7,9-10,20,22H,2-5,8,11-19H2,1H3,(H2,24,25,26)/b7-6-,10-9-
InChIKey
PALVOIADDFXQGT-HZJYTTRNSA-N
Compound name
(1-hydroxy-3-phosphonooxypropan-2-yl) (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

434.24335 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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 (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.