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]+ 193.034286 130.6
[M+Na]+ 215.016228 140.0
[M-H]- 191.019734 132.0
[M+NH4]+ 210.060833 153.3
[M+K]+ 230.990168 140.3
[M+H-H2O]+ 175.024270 130.2
[M+HCOO]- 237.025211 146.5
[M+CH3COO]- 251.040861 169.2
[M+Na-2H]- 213.001676 138.0
[M]+ 192.02646142 131.1
[M]- 192.02755858 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.