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]+ 467.313216 216.2
[M+Na]+ 489.295158 217.9
[M-H]- 465.298664 207.1
[M+NH4]+ 484.339763 215.4
[M+K]+ 505.269098 214.4
[M+H-H2O]+ 449.303200 206.4
[M+HCOO]- 511.304141 222.9
[M+CH3COO]- 525.319791 231.3
[M+Na-2H]- 487.280606 200.1
[M]+ 466.30539142 212.8
[M]- 466.30648858 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.