CID 90659000

(3as,6s,6ar)-3,3,3a,6-tetrahydroxytetrahydrofuro[3,2-b]furan-2(3h)-one (non-preferred name)

Structural Information

Molecular Formula
C6H8O7
SMILES
C1[C@@H]([C@@H]2[C@](O1)(C(C(=O)O2)(O)O)O)O
InChI
InChI=1S/C6H8O7/c7-2-1-12-6(11)3(2)13-4(8)5(6,9)10/h2-3,7,9-11H,1H2/t2-,3+,6-/m0/s1
InChIKey
QPPOKIPSRPKDEM-VPGXFDHMSA-N
Compound name
(3S,3aR,6aS)-3,6,6,6a-tetrahydroxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1
Patents

192.02701 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.03429 132.6
[M+Na]+ 215.01623 138.7
[M+NH4]+ 210.06083 140.6
[M+K]+ 230.99017 138.9
[M-H]- 191.01973 131.5
[M+Na-2H]- 213.00168 133.4
[M]+ 192.02646 132.8
[M]- 192.02756 132.8
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.