CID 92283

D-glucurono-3,6-lactone

Structural Information

Molecular Formula
C6H8O6
SMILES
C(=O)[C@@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O
InChI
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-,3+,4-,5+/m0/s1
InChIKey
UYUXSRADSPPKRZ-SKNVOMKLSA-N
Compound name
(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

97
References

7324
Patents

176.03209 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.03937 133.5
[M+Na]+ 199.02131 140.8
[M+NH4]+ 194.06591 138.3
[M+K]+ 214.99525 141.8
[M-H]- 175.02481 131.6
[M+Na-2H]- 197.00676 132.9
[M]+ 176.03154 133.3
[M]- 176.03264 133.3
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