CID 131821855

Lysopa(i-22:0/0:0)

Structural Information

Molecular Formula
C25H51O7P
SMILES
CC(C)CCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
InChI
InChI=1S/C25H51O7P/c1-23(2)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-25(27)31-21-24(26)22-32-33(28,29)30/h23-24,26H,3-22H2,1-2H3,(H2,28,29,30)
InChIKey
VITMAKAQMDUFMQ-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-phosphonooxypropyl) 20-methylhenicosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

494.33725 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.34453 226.1
[M+Na]+ 517.32647 227.7
[M+NH4]+ 512.37107 229.3
[M+K]+ 533.30041 225.5
[M-H]- 493.32997 217.2
[M+Na-2H]- 515.31192 228.7
[M]+ 494.33670 223.8
[M]- 494.33780 223.8
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.