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

35
Patents

128.04735 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.054626 127.1
[M+Na]+ 151.036568 133.4
[M-H]- 127.040074 128.0
[M+NH4]+ 146.081173 149.5
[M+K]+ 167.010508 136.3
[M+H-H2O]+ 111.044610 121.7
[M+HCOO]- 173.045551 143.8
[M+CH3COO]- 187.061201 172.8
[M+Na-2H]- 149.022016 136.1
[M]+ 128.04680142 139.9
[M]- 128.04789858 139.9
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