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 148.2
[M+Na]+ 265.00837 152.8
[M-H]- 241.01187 141.8
[M+NH4]+ 260.05297 162.6
[M+K]+ 280.98231 153.8
[M+H-H2O]+ 225.01641 141.7
[M+HCOO]- 287.01735 167.9
[M+CH3COO]- 301.03300 182.2
[M+Na-2H]- 262.99382 146.6
[M]+ 242.01860 149.7
[M]- 242.01970 149.7
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.