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]+ 243.026426 148.2
[M+Na]+ 265.008368 152.8
[M-H]- 241.011874 141.8
[M+NH4]+ 260.052973 162.6
[M+K]+ 280.982308 153.8
[M+H-H2O]+ 225.016410 141.7
[M+HCOO]- 287.017351 167.9
[M+CH3COO]- 301.033001 182.2
[M+Na-2H]- 262.993816 146.6
[M]+ 242.01860142 149.7
[M]- 242.01969858 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.