CID 447987

Pd041406

Structural Information

Molecular Formula
C19H37O10P
SMILES
CCCCCCCC(=O)O[C@H](COC(=O)CCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C19H37O10P/c1-3-5-7-8-9-11-19(23)29-17(14-26-18(22)10-6-4-2)15-28-30(24,25)27-13-16(21)12-20/h16-17,20-21H,3-15H2,1-2H3,(H,24,25)/t16-,17+/m0/s1
InChIKey
UQSXQYRZHMGKIE-DLBZAZTESA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-pentanoyloxypropan-2-yl] octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.21243 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.21971 211.2
[M+Na]+ 479.20165 213.6
[M-H]- 455.20515 209.3
[M+NH4]+ 474.24625 216.2
[M+K]+ 495.17559 208.7
[M+H-H2O]+ 439.20969 203.3
[M+HCOO]- 501.21063 215.5
[M+CH3COO]- 515.22628 225.5
[M+Na-2H]- 477.18710 197.1
[M]+ 456.21188 209.0
[M]- 456.21298 209.0
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.