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 159.5
[M+Na]+ 291.06042 164.5
[M-H]- 267.06392 155.4
[M+NH4]+ 286.10502 174.8
[M+K]+ 307.03436 164.7
[M+H-H2O]+ 251.06846 152.2
[M+HCOO]- 313.06940 183.1
[M+CH3COO]- 327.08505 190.9
[M+Na-2H]- 289.04587 159.7
[M]+ 268.07065 165.9
[M]- 268.07175 165.9
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.