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 130.6
[M+Na]+ 215.01623 140.0
[M-H]- 191.01973 132.0
[M+NH4]+ 210.06083 153.3
[M+K]+ 230.99017 140.3
[M+H-H2O]+ 175.02427 130.2
[M+HCOO]- 237.02521 146.5
[M+CH3COO]- 251.04086 169.2
[M+Na-2H]- 213.00168 138.0
[M]+ 192.02646 131.1
[M]- 192.02756 131.1
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.