CID 86289254

1-(9z,12z)-octadecadienylglycerone 3-phosphate

Structural Information

Molecular Formula
C21H39O6P
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCOCC(=O)COP(=O)(O)O
InChI
InChI=1S/C21H39O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25/h6-7,9-10H,2-5,8,11-20H2,1H3,(H2,23,24,25)/b7-6-,10-9-
InChIKey
WIKTZNNDPBWNFJ-HZJYTTRNSA-N
Compound name
[3-[(9Z,12Z)-octadeca-9,12-dienoxy]-2-oxopropyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

418.2484 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.25568 202.7
[M+Na]+ 441.23762 207.1
[M-H]- 417.24112 194.3
[M+NH4]+ 436.28222 202.7
[M+K]+ 457.21156 201.4
[M+H-H2O]+ 401.24566 193.9
[M+HCOO]- 463.24660 216.1
[M+CH3COO]- 477.26225 222.2
[M+Na-2H]- 439.22307 189.2
[M]+ 418.24785 200.1
[M]- 418.24895 200.1
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.