CID 25137933

6-deoxy-5-ketofructose 1-phosphate

Structural Information

Molecular Formula
C6H11O8P
SMILES
CC(=O)[C@H]([C@@H](C(=O)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/h5-6,9-10H,2H2,1H3,(H2,11,12,13)/t5-,6-/m1/s1
InChIKey
XBUYIELOLLPBOC-PHDIDXHHSA-N
Compound name
[(3S,4S)-3,4-dihydroxy-2,5-dioxohexyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

3
Patents

242.01915 Da
Monoisotopic Mass

-3.3
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

literature stripe

Patent stripe

patents stripe