CID 137965742

6-oxabicyclo[3.2.1]octane-5-carboxylic acid

Structural Information

Molecular Formula
C8H12O3
SMILES
C1CC2CC(C1)(OC2)C(=O)O
InChI
InChI=1S/C8H12O3/c9-7(10)8-3-1-2-6(4-8)5-11-8/h6H,1-5H2,(H,9,10)
InChIKey
YWDYMMWINUSJQB-UHFFFAOYSA-N
Compound name
6-oxabicyclo[3.2.1]octane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 132.6
[M+Na]+ 179.06786 141.1
[M+NH4]+ 174.11246 142.7
[M+K]+ 195.04180 136.8
[M-H]- 155.07136 133.4
[M+Na-2H]- 177.05331 135.0
[M]+ 156.07809 133.9
[M]- 156.07919 133.9
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

No patent data available for this compound.