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
3
Annotation Hits

0
References

2
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 204.8
[M+Na]+ 457.23257 208.1
[M-H]- 433.23607 198.2
[M+NH4]+ 452.27717 204.8
[M+K]+ 473.20651 202.8
[M+H-H2O]+ 417.24061 195.4
[M+HCOO]- 479.24155 214.2
[M+CH3COO]- 493.25720 222.0
[M+Na-2H]- 455.21802 190.7
[M]+ 434.24280 201.1
[M]- 434.24390 201.1
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.