CID 53481026

Dhap(6:0)

Structural Information

Molecular Formula
C9H17O7P
SMILES
CCCCCC(=O)OCC(=O)COP(=O)(O)O
InChI
InChI=1S/C9H17O7P/c1-2-3-4-5-9(11)15-6-8(10)7-16-17(12,13)14/h2-7H2,1H3,(H2,12,13,14)
InChIKey
DYGQOKMJJPXFMO-UHFFFAOYSA-N
Compound name
(2-oxo-3-phosphonooxypropyl) hexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

268.0712 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07848 158.9
[M+Na]+ 291.06042 163.7
[M+NH4]+ 286.10502 161.1
[M+K]+ 307.03436 163.2
[M-H]- 267.06392 152.3
[M+Na-2H]- 289.04587 156.7
[M]+ 268.07065 156.9
[M]- 268.07175 156.9
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.