CID 134812505

Pob-pa

Structural Information

Molecular Formula
C23H43O9P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC=O
InChI
InChI=1S/C23H43O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-22(25)30-19-21(20-31-33(27,28)29)32-23(26)17-15-18-24/h18,21H,2-17,19-20H2,1H3,(H2,27,28,29)/t21-/m1/s1
InChIKey
RBUXIXCVZBSQCO-OAQYLSRUSA-N
Compound name
[(2R)-2-(4-oxobutanoyloxy)-3-phosphonooxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.26447 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.27175 220.7
[M+Na]+ 517.25369 224.1
[M-H]- 493.25719 216.4
[M+NH4]+ 512.29829 226.0
[M+K]+ 533.22763 220.0
[M+H-H2O]+ 477.26173 213.0
[M+HCOO]- 539.26267 228.4
[M+CH3COO]- 553.27832 235.5
[M+Na-2H]- 515.23914 206.0
[M]+ 494.26392 219.2
[M]- 494.26502 219.2
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.