CID 2724333

(2r,3r,3ar,6r,6ar)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2h-furo[3,2-b]furan-5-one

Structural Information

Molecular Formula
C6H8O6
SMILES
[C@H]1([C@@H]2[C@@H]([C@H](C(=O)O2)O)O[C@H]1O)O
InChI
InChI=1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H/t1-,2-,3-,4-,5-/m1/s1
InChIKey
OGLCQHRZUSEXNB-WHDMSYDLSA-N
Compound name
(2R,3R,3aR,6R,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

1843
Patents

176.03209 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.03937 130.0
[M+Na]+ 199.02131 139.0
[M-H]- 175.02481 132.5
[M+NH4]+ 194.06591 150.5
[M+K]+ 214.99525 139.4
[M+H-H2O]+ 159.02935 127.9
[M+HCOO]- 221.03029 147.3
[M+CH3COO]- 235.04594 170.9
[M+Na-2H]- 197.00676 133.8
[M]+ 176.03154 130.2
[M]- 176.03264 130.2
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

No patent data available for this compound.