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 153.7
[M+Na]+ 237.07334 159.4
[M-H]- 213.07684 154.4
[M+NH4]+ 232.11794 174.5
[M+K]+ 253.04728 162.1
[M+H-H2O]+ 197.08138 149.0
[M+HCOO]- 259.08232 168.1
[M+CH3COO]- 273.09797 188.5
[M+Na-2H]- 235.05879 160.1
[M]+ 214.08357 169.8
[M]- 214.08467 169.8
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.