CID 86289259

1-linoleoylglycerone 3-phosphate(2-)

Structural Information

Molecular Formula
C21H37O7P
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(=O)COP(=O)(O)O
InChI
InChI=1S/C21H37O7P/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/h6-7,9-10H,2-5,8,11-19H2,1H3,(H2,24,25,26)/b7-6-,10-9-
InChIKey
AHOBMSZBVSJMAH-HZJYTTRNSA-N
Compound name
(2-oxo-3-phosphonooxypropyl) (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.2277 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.23498 203.8
[M+Na]+ 455.21692 208.7
[M-H]- 431.22042 198.4
[M+NH4]+ 450.26152 206.5
[M+K]+ 471.19086 203.0
[M+H-H2O]+ 415.22496 195.7
[M+HCOO]- 477.22590 215.6
[M+CH3COO]- 491.24155 223.4
[M+Na-2H]- 453.20237 191.0
[M]+ 432.22715 201.3
[M]- 432.22825 201.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.