CID 91196346

2-oxabicyclo[2.2.1]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C7H10O3
SMILES
C1CC2(CC1CO2)C(=O)O
InChI
InChI=1S/C7H10O3/c8-6(9)7-2-1-5(3-7)4-10-7/h5H,1-4H2,(H,8,9)
InChIKey
KENMFOIQIMXSJA-UHFFFAOYSA-N
Compound name
2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

142.06299 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 128.5
[M+Na]+ 165.05221 136.1
[M+NH4]+ 160.09681 138.5
[M+K]+ 181.02615 134.2
[M-H]- 141.05571 128.6
[M+Na-2H]- 163.03766 130.3
[M]+ 142.06244 129.4
[M]- 142.06354 129.4
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