CID 131822221

Pa(8:0/14:0)

Structural Information

Molecular Formula
C25H49O8P
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C25H49O8P/c1-3-5-7-9-10-11-12-13-14-16-18-20-25(27)33-23(22-32-34(28,29)30)21-31-24(26)19-17-15-8-6-4-2/h23H,3-22H2,1-2H3,(H2,28,29,30)/t23-/m1/s1
InChIKey
FXSMFGRXJAZPDW-HSZRJFAPSA-N
Compound name
[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

508.3165 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.32378 226.4
[M+Na]+ 531.30572 229.4
[M-H]- 507.30922 220.0
[M+NH4]+ 526.35032 230.5
[M+K]+ 547.27966 226.6
[M+H-H2O]+ 491.31376 218.3
[M+HCOO]- 553.31470 232.5
[M+CH3COO]- 567.33035 240.0
[M+Na-2H]- 529.29117 210.7
[M]+ 508.31595 224.5
[M]- 508.31705 224.5
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.