CID 477848

Odg-paa

Structural Information

Molecular Formula
C23H47O7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(CC(=O)O)O)O
InChI
InChI=1S/C23H47O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-19-22(24)20-30-31(27,28)21-23(25)26/h22,24H,2-21H2,1H3,(H,25,26)(H,27,28)/t22-/m1/s1
InChIKey
XTGJMCLJIZXPKF-JOCHJYFZSA-N
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-octadecoxypropoxy]phosphoryl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

466.30594 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.31322 216.2
[M+Na]+ 489.29516 217.9
[M-H]- 465.29866 207.1
[M+NH4]+ 484.33976 215.4
[M+K]+ 505.26910 214.4
[M+H-H2O]+ 449.30320 206.4
[M+HCOO]- 511.30414 222.9
[M+CH3COO]- 525.31979 231.3
[M+Na-2H]- 487.28061 200.1
[M]+ 466.30539 212.8
[M]- 466.30649 212.8
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

No patent data available for this compound.