CID 137935405

2-oxabicyclo[2.2.1]heptane-4-carboxylic acid

Structural Information

Molecular Formula
C7H10O3
SMILES
C1CC2(CC1OC2)C(=O)O
InChI
InChI=1S/C7H10O3/c8-6(9)7-2-1-5(3-7)10-4-7/h5H,1-4H2,(H,8,9)
InChIKey
RWYJBAAQBNCMHX-UHFFFAOYSA-N
Compound name
2-oxabicyclo[2.2.1]heptane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

142.06299 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.070266 128.6
[M+Na]+ 165.052208 135.9
[M-H]- 141.055714 130.8
[M+NH4]+ 160.096813 154.9
[M+K]+ 181.026148 135.9
[M+H-H2O]+ 125.060250 125.9
[M+HCOO]- 187.061191 147.9
[M+CH3COO]- 201.076841 168.5
[M+Na-2H]- 163.037656 134.7
[M]+ 142.06244142 127.7
[M]- 142.06353858 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

patents stripe