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 223.3
[M+Na]+ 517.32647 225.2
[M-H]- 493.32997 215.0
[M+NH4]+ 512.37107 224.1
[M+K]+ 533.30041 223.0
[M+H-H2O]+ 477.33451 213.8
[M+HCOO]- 539.33545 227.0
[M+CH3COO]- 553.35110 237.2
[M+Na-2H]- 515.31192 206.9
[M]+ 494.33670 220.0
[M]- 494.33780 220.0
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.