CID 84075988

2-oxabicyclo[2.1.1]hexane-4-carboxylic acid

Structural Information

Molecular Formula
C6H8O3
SMILES
C1C2CC1(CO2)C(=O)O
InChI
InChI=1S/C6H8O3/c7-5(8)6-1-4(2-6)9-3-6/h4H,1-3H2,(H,7,8)
InChIKey
BQBKRRKIZVFNCB-UHFFFAOYSA-N
Compound name
2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

128.04735 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 119.1
[M+Na]+ 151.03657 122.2
[M+NH4]+ 146.08117 125.9
[M+K]+ 167.01051 122.6
[M-H]- 127.04007 114.5
[M+Na-2H]- 149.02202 116.0
[M]+ 128.04680 116.9
[M]- 128.04790 116.9
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

patents stripe