CID 17786745

Lpa 22:0

Structural Information

Molecular Formula
C25H51O7P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
InChI
InChI=1S/C25H51O7P/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/h24,26H,2-23H2,1H3,(H2,28,29,30)
InChIKey
SQNPGTTUWWZACK-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-phosphonooxypropyl) docosanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

17
Patents

494.33725 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.34453 223.9
[M+Na]+ 517.32647 225.2
[M-H]- 493.32997 214.0
[M+NH4]+ 512.37107 223.0
[M+K]+ 533.30041 222.5
[M+H-H2O]+ 477.33451 213.8
[M+HCOO]- 539.33545 229.8
[M+CH3COO]- 553.35110 236.4
[M+Na-2H]- 515.31192 206.8
[M]+ 494.33670 220.3
[M]- 494.33780 220.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe