CID 131822220

Pa(8:0/13:0)

Structural Information

Molecular Formula
C24H47O8P
SMILES
CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C24H47O8P/c1-3-5-7-9-10-11-12-13-15-17-19-24(26)32-22(21-31-33(27,28)29)20-30-23(25)18-16-14-8-6-4-2/h22H,3-21H2,1-2H3,(H2,27,28,29)/t22-/m1/s1
InChIKey
REQRISOJSILKKG-JOCHJYFZSA-N
Compound name
[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

494.30084 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.30812 222.8
[M+Na]+ 517.29006 225.9
[M-H]- 493.29356 216.8
[M+NH4]+ 512.33466 227.0
[M+K]+ 533.26400 222.7
[M+H-H2O]+ 477.29810 214.8
[M+HCOO]- 539.29904 229.3
[M+CH3COO]- 553.31469 237.1
[M+Na-2H]- 515.27551 207.6
[M]+ 494.30029 220.9
[M]- 494.30139 220.9
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.