CID 130002696

6-oxo-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C7H8O4
SMILES
C1C2CC(=O)C(C1C(=O)O)O2
InChI
InChI=1S/C7H8O4/c8-5-2-3-1-4(7(9)10)6(5)11-3/h3-4,6H,1-2H2,(H,9,10)
InChIKey
QRADTXZVQNFLSA-UHFFFAOYSA-N
Compound name
6-oxo-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.04225 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04953 129.4
[M+Na]+ 179.03147 137.1
[M+NH4]+ 174.07607 137.0
[M+K]+ 195.00541 137.9
[M-H]- 155.03497 128.8
[M+Na-2H]- 177.01692 128.6
[M]+ 156.04170 129.8
[M]- 156.04280 129.8
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.