CID 17796842

2-oxabicyclo[2.2.2]octane-3-carboxylic acid

Structural Information

Molecular Formula
C8H12O3
SMILES
C1CC2CCC1C(O2)C(=O)O
InChI
InChI=1S/C8H12O3/c9-8(10)7-5-1-3-6(11-7)4-2-5/h5-7H,1-4H2,(H,9,10)
InChIKey
ZPXWXKWWKDVFBK-UHFFFAOYSA-N
Compound name
2-oxabicyclo[2.2.2]octane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 127.0
[M+Na]+ 179.06786 136.4
[M+NH4]+ 174.11246 137.2
[M+K]+ 195.04180 131.5
[M-H]- 155.07136 125.6
[M+Na-2H]- 177.05331 124.2
[M]+ 156.07809 127.7
[M]- 156.07919 127.7
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.