CID 145915589

876607-71-5

Structural Information

Molecular Formula
C6H6O5
SMILES
C1CO[C@H]2[C@@H](O1)C(=O)OC2=O
InChI
InChI=1S/C6H6O5/c7-5-3-4(6(8)11-5)10-2-1-9-3/h3-4H,1-2H2/t3-,4+
InChIKey
BTCNZQQDMJKBPH-ZXZARUISSA-N
Compound name
(4aR,7aS)-2,3,4a,7a-tetrahydrofuro[3,4-b][1,4]dioxine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.02153 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.028806 124.4
[M+Na]+ 181.010748 132.8
[M-H]- 157.014254 130.8
[M+NH4]+ 176.055353 144.1
[M+K]+ 196.984688 135.7
[M+H-H2O]+ 141.018790 120.7
[M+HCOO]- 203.019731 143.4
[M+CH3COO]- 217.035381 172.9
[M+Na-2H]- 178.996196 132.7
[M]+ 158.02098142 125.6
[M]- 158.02207858 125.6
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.