CID 171118746

1-(13z)-docosenyl glycerone-3-phosphate

Structural Information

Molecular Formula
C25H49O6P
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCOCC(=O)COP(=O)(O)O
InChI
InChI=1S/C25H49O6P/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/h9-10H,2-8,11-24H2,1H3,(H2,27,28,29)/b10-9-
InChIKey
WGRFYZCOMNWPKZ-KTKRTIGZSA-N
Compound name
[3-[(Z)-docos-13-enoxy]-2-oxopropyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.3267 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.33398 219.5
[M+Na]+ 499.31592 222.5
[M-H]- 475.31942 208.6
[M+NH4]+ 494.36052 219.0
[M+K]+ 515.28986 218.9
[M+H-H2O]+ 459.32396 210.0
[M+HCOO]- 521.32490 230.3
[M+CH3COO]- 535.34055 235.3
[M+Na-2H]- 497.30137 203.6
[M]+ 476.32615 216.8
[M]- 476.32725 216.8
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.