CID 14163365

Ethyl 5-ethyl-2-oxocyclohexane-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₈O₃

SMILES

CCC1CCC(=O)C(C1)C(=O)OCC

InChI

InChI=1S/C11H18O3/c1-3-8-5-6-10(12)9(7-8)11(13)14-4-2/h8-9H,3-7H2,1-2H3

InChIKey

UQCWMCVHLWXKLU-UHFFFAOYSA-N

Compound name

ethyl 5-ethyl-2-oxocyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.1256 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	199.13288	145.2
[M+Na]+	221.11482	155.1
[M+NH4]+	216.15942	152.5
[M+K]+	237.08876	149.7
[M-H]-	197.11832	145.8
[M+Na-2H]-	219.10027	148.3
[M]+	198.12505	146.4
[M]-	198.12615	146.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.