CID 46201433

1h,3h-furo[3,4-c]furan-1,3-dione, tetrahydro-, cis-

Structural Information

Molecular Formula
C6H6O4
SMILES
C1[C@@H]2[C@H](CO1)C(=O)OC2=O
InChI
InChI=1S/C6H6O4/c7-5-3-1-9-2-4(3)6(8)10-5/h3-4H,1-2H2/t3-,4+
InChIKey
NEOVTTNLKPSNCL-ZXZARUISSA-N
Compound name
(3aS,6aR)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

142.02661 Da
Monoisotopic Mass

-0.8
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

literature stripe

Patent stripe

patents stripe