CID 17786805

Schembl6336802

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
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

literature stripe

Patent stripe

patents stripe