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

29
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 127.1
[M+Na]+ 151.03657 133.4
[M-H]- 127.04007 128.0
[M+NH4]+ 146.08117 149.5
[M+K]+ 167.01051 136.3
[M+H-H2O]+ 111.04461 121.7
[M+HCOO]- 173.04555 143.8
[M+CH3COO]- 187.06120 172.8
[M+Na-2H]- 149.02202 136.1
[M]+ 128.04680 139.9
[M]- 128.04790 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