CID 3080109

127311-88-0

Structural Information

Molecular Formula
C11H12O6
SMILES
CCOC(=O)[C@@H]1C[C@@H]2[C@@H]3[C@H]([C@H]1O2)C(=O)OC3=O
InChI
InChI=1S/C11H12O6/c1-2-15-9(12)4-3-5-6-7(8(4)16-5)11(14)17-10(6)13/h4-8H,2-3H2,1H3/t4-,5-,6-,7-,8+/m1/s1
InChIKey
ZIYLSFYPPOEDQP-PVFLNQBWSA-N
Compound name
ethyl (1R,2S,6R,7S,8R)-3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.06339 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.070666 149.0
[M+Na]+ 263.052608 157.7
[M-H]- 239.056114 154.6
[M+NH4]+ 258.097213 171.9
[M+K]+ 279.026548 158.6
[M+H-H2O]+ 223.060650 148.1
[M+HCOO]- 285.061591 167.3
[M+CH3COO]- 299.077241 191.6
[M+Na-2H]- 261.038056 150.6
[M]+ 240.06284142 154.3
[M]- 240.06393858 154.3
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.