CID 176107

Exo,exo-5,6-(methylenedioxy)endothall

Structural Information

Molecular Formula
C9H10O7
SMILES
C1O[C@H]2[C@@H]3[C@@H]([C@@H]([C@H]([C@H]2O1)O3)C(=O)O)C(=O)O
InChI
InChI=1S/C9H10O7/c10-8(11)2-3(9(12)13)5-7-6(4(2)16-5)14-1-15-7/h2-7H,1H2,(H,10,11)(H,12,13)/t2-,3+,4+,5-,6+,7-
InChIKey
WEVUSTYCLOGAGR-BEOVHNCFSA-N
Compound name
(1R,2R,6S,7S,8R,9S)-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.04265 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04993 144.9
[M+Na]+ 253.03187 151.9
[M-H]- 229.03537 148.3
[M+NH4]+ 248.07647 164.9
[M+K]+ 269.00581 154.0
[M+H-H2O]+ 213.03991 144.7
[M+HCOO]- 275.04085 158.8
[M+CH3COO]- 289.05650 185.1
[M+Na-2H]- 251.01732 147.0
[M]+ 230.04210 147.8
[M]- 230.04320 147.8
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.