CID 21119246

13241-36-6

Structural Information

Molecular Formula
C6H6O4
SMILES
C1C(=O)[C@@H]2[C@H](O1)C(=O)CO2
InChI
InChI=1S/C6H6O4/c7-3-1-9-6-4(8)2-10-5(3)6/h5-6H,1-2H2/t5-,6-/m1/s1
InChIKey
WDUVHBUZEIBPBR-PHDIDXHHSA-N
Compound name
(3aS,6aS)-3a,6a-dihydrofuro[3,2-b]furan-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

142.02661 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.033886 122.5
[M+Na]+ 165.015828 131.6
[M-H]- 141.019334 128.5
[M+NH4]+ 160.060433 146.0
[M+K]+ 180.989768 133.2
[M+H-H2O]+ 125.023870 119.6
[M+HCOO]- 187.024811 144.3
[M+CH3COO]- 201.040461 170.2
[M+Na-2H]- 163.001276 128.5
[M]+ 142.02606142 123.7
[M]- 142.02715858 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

patents stripe