CID 129320405

1-deoxy-2,3-hexodiulose-6-phosphate

Structural Information

Molecular Formula
C6H11O8P
SMILES
CC(=O)C(=O)C(C(COP(=O)(O)O)O)O
InChI
InChI=1S/C6H11O8P/c1-3(7)5(9)6(10)4(8)2-14-15(11,12)13/h4,6,8,10H,2H2,1H3,(H2,11,12,13)
InChIKey
FYFJULGGTFPARF-UHFFFAOYSA-N
Compound name
(2,3-dihydroxy-4,5-dioxohexyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

242.01915 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.02643 149.1
[M+Na]+ 265.00837 152.2
[M+NH4]+ 260.05297 150.1
[M+K]+ 280.98231 155.2
[M-H]- 241.01187 140.5
[M+Na-2H]- 262.99382 145.2
[M]+ 242.01860 146.0
[M]- 242.01970 146.0
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.