CID 171118814

1-docosanyl glycerone-3-phosphate

Structural Information

Molecular Formula
C25H49O7P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)(O)O
InChI
InChI=1S/C25H49O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h2-23H2,1H3,(H2,28,29,30)
InChIKey
MSQXXCQFMLAPGO-UHFFFAOYSA-N
Compound name
(2-oxo-3-phosphonooxypropyl) docosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.3216 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.32888 222.5
[M+Na]+ 515.31082 225.5
[M-H]- 491.31432 213.9
[M+NH4]+ 510.35542 224.3
[M+K]+ 531.28476 222.4
[M+H-H2O]+ 475.31886 213.7
[M+HCOO]- 537.31980 231.0
[M+CH3COO]- 551.33545 237.9
[M+Na-2H]- 513.29627 206.8
[M]+ 492.32105 220.2
[M]- 492.32215 220.2
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.