CID 137965980

4-(ethoxycarbonyl)-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C9H12O5
SMILES
CCOC(=O)C12CC(C1)(OC2)C(=O)O
InChI
InChI=1S/C9H12O5/c1-2-13-7(12)8-3-9(4-8,6(10)11)14-5-8/h2-5H2,1H3,(H,10,11)
InChIKey
WZOFQIRJDSVCNL-UHFFFAOYSA-N
Compound name
4-ethoxycarbonyl-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06847 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07575 141.0
[M+Na]+ 223.05769 142.2
[M+NH4]+ 218.10229 147.0
[M+K]+ 239.03163 141.7
[M-H]- 199.06119 134.7
[M+Na-2H]- 221.04314 137.1
[M]+ 200.06792 138.0
[M]- 200.06902 138.0
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.