CID 125451501

Rac-(3ar,6as)-hexahydrofuro[3,4-b]furan-4,6-dione

Structural Information

Molecular Formula
C6H6O4
SMILES
C1CO[C@@H]2[C@H]1C(=O)OC2=O
InChI
InChI=1S/C6H6O4/c7-5-3-1-2-9-4(3)6(8)10-5/h3-4H,1-2H2/t3-,4+/m0/s1
InChIKey
XSWYJJOVZZIPTD-IUYQGCFVSA-N
Compound name
(3aS,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-c]furan-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.02661 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03389 122.5
[M+Na]+ 165.01583 131.6
[M-H]- 141.01933 128.5
[M+NH4]+ 160.06043 146.0
[M+K]+ 180.98977 133.2
[M+H-H2O]+ 125.02387 119.6
[M+HCOO]- 187.02481 144.3
[M+CH3COO]- 201.04046 170.2
[M+Na-2H]- 163.00128 128.5
[M]+ 142.02606 123.7
[M]- 142.02716 123.7
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.