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]+ 215.091396 153.7
[M+Na]+ 237.073338 159.4
[M-H]- 213.076844 154.4
[M+NH4]+ 232.117943 174.5
[M+K]+ 253.047278 162.1
[M+H-H2O]+ 197.081380 149.0
[M+HCOO]- 259.082321 168.1
[M+CH3COO]- 273.097971 188.5
[M+Na-2H]- 235.058786 160.1
[M]+ 214.08357142 169.8
[M]- 214.08466858 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.