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]+ 159.02881 124.4
[M+Na]+ 181.01075 132.8
[M-H]- 157.01425 130.8
[M+NH4]+ 176.05535 144.1
[M+K]+ 196.98469 135.7
[M+H-H2O]+ 141.01879 120.7
[M+HCOO]- 203.01973 143.4
[M+CH3COO]- 217.03538 172.9
[M+Na-2H]- 178.99620 132.7
[M]+ 158.02098 125.6
[M]- 158.02208 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.