CID 165587930

4-(ethoxycarbonyl)-1-methyl-2-oxabicyclo[2.1.1]hexane-3-carboxylic acid

Structural Information

Molecular Formula
C10H14O5
SMILES
CCOC(=O)C12CC(C1)(OC2C(=O)O)C
InChI
InChI=1S/C10H14O5/c1-3-14-8(13)10-4-9(2,5-10)15-6(10)7(11)12/h6H,3-5H2,1-2H3,(H,11,12)
InChIKey
IVQDKFFARATCQC-UHFFFAOYSA-N
Compound name
4-ethoxycarbonyl-1-methyl-2-oxabicyclo[2.1.1]hexane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.08412 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09140 144.8
[M+Na]+ 237.07334 146.2
[M+NH4]+ 232.11794 150.7
[M+K]+ 253.04728 145.7
[M-H]- 213.07684 138.6
[M+Na-2H]- 235.05879 140.5
[M]+ 214.08357 141.9
[M]- 214.08467 141.9
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.