CID 171118747

1-(13z,16z)-docosadienyl glycerone-3-phosphate

Structural Information

Molecular Formula
C25H47O6P
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCCCCCOCC(=O)COP(=O)(O)O
InChI
InChI=1S/C25H47O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-23-25(26)24-31-32(27,28)29/h6-7,9-10H,2-5,8,11-24H2,1H3,(H2,27,28,29)/b7-6-,10-9-
InChIKey
RBXRXEFPKNWXAZ-HZJYTTRNSA-N
Compound name
[3-[(13Z,16Z)-docosa-13,16-dienoxy]-2-oxopropyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.31104 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.31832 217.3
[M+Na]+ 497.30026 220.9
[M-H]- 473.30376 207.3
[M+NH4]+ 492.34486 217.1
[M+K]+ 513.27420 216.9
[M+H-H2O]+ 457.30830 207.9
[M+HCOO]- 519.30924 229.0
[M+CH3COO]- 533.32489 233.9
[M+Na-2H]- 495.28571 201.9
[M]+ 474.31049 214.4
[M]- 474.31159 214.4
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.