CID 11789499

(2r,3r)-3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one

Structural Information

Molecular Formula
C6H8O5
SMILES
C1=C(C(=O)[C@@H]([C@H](O1)CO)O)O
InChI
InChI=1S/C6H8O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4,6-8,10H,1H2/t4-,6-/m1/s1
InChIKey
CLDKGBMTBWSEPC-INEUFUBQSA-N
Compound name
(2R,3R)-3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.03717 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04445 128.9
[M+Na]+ 183.02639 139.2
[M+NH4]+ 178.07099 135.2
[M+K]+ 199.00033 136.6
[M-H]- 159.02989 129.1
[M+Na-2H]- 181.01184 131.3
[M]+ 160.03662 130.0
[M]- 160.03772 130.0
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

No patent data available for this compound.