CID 9547947

Chebi:229553

Structural Information

Molecular Formula
C6H8O6
SMILES
C1=C(O[C@@H]([C@@H]([C@H]1O)O)O)C(=O)O
InChI
InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4+,6-/m0/s1
InChIKey
IAKKJSVSFCTLRY-DJSBZWDSSA-N
Compound name
(2S,3R,4S)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

176.03209 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.03937 132.5
[M+Na]+ 199.02131 141.3
[M+NH4]+ 194.06591 137.7
[M+K]+ 214.99525 140.5
[M-H]- 175.02481 131.4
[M+Na-2H]- 197.00676 133.4
[M]+ 176.03154 132.9
[M]- 176.03264 132.9
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

patents stripe