CID 131821853

Lysopa(a-21:0/0:0)

Structural Information

Molecular Formula
C24H49O7P
SMILES
CCC(C)CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
InChI
InChI=1S/C24H49O7P/c1-3-22(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-24(26)30-20-23(25)21-31-32(27,28)29/h22-23,25H,3-21H2,1-2H3,(H2,27,28,29)
InChIKey
BAMCZRAHVYOBQD-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-phosphonooxypropyl) 18-methylicosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

480.3216 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.32888 219.7
[M+Na]+ 503.31082 221.8
[M-H]- 479.31432 211.8
[M+NH4]+ 498.35542 220.5
[M+K]+ 519.28476 219.2
[M+H-H2O]+ 463.31886 210.4
[M+HCOO]- 525.31980 223.8
[M+CH3COO]- 539.33545 234.3
[M+Na-2H]- 501.29627 203.8
[M]+ 480.32105 216.4
[M]- 480.32215 216.4
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.