CID 6602434

6-phospho-2-dehydro-d-gluconate

Structural Information

Molecular Formula
C6H11O10P
SMILES
C([C@H]([C@H]([C@@H](C(=O)C(=O)O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H11O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-4,7-9H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+/m1/s1
InChIKey
ZKUSPPOKDDRMIU-JJYYJPOSSA-N
Compound name
(3S,4R,5R)-3,4,5-trihydroxy-2-oxo-6-phosphonooxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

274.00897 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.01625 154.0
[M+Na]+ 296.99819 154.8
[M+NH4]+ 292.04279 164.6
[M+K]+ 312.97213 160.4
[M-H]- 273.00169 143.2
[M+Na-2H]- 294.98364 147.8
[M]+ 274.00842 149.7
[M]- 274.00952 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