CID 53481029

Dhap(8:0)

Structural Information

Molecular Formula
C11H21O7P
SMILES
CCCCCCCC(=O)OCC(=O)COP(=O)(O)O
InChI
InChI=1S/C11H21O7P/c1-2-3-4-5-6-7-11(13)17-8-10(12)9-18-19(14,15)16/h2-9H2,1H3,(H2,14,15,16)
InChIKey
PQQGELFARUCGEM-UHFFFAOYSA-N
Compound name
(2-oxo-3-phosphonooxypropyl) octanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

296.10248 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10976 167.4
[M+Na]+ 319.09170 171.8
[M+NH4]+ 314.13630 179.1
[M+K]+ 335.06564 170.7
[M-H]- 295.09520 160.7
[M+Na-2H]- 317.07715 164.6
[M]+ 296.10193 165.2
[M]- 296.10303 165.2
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.