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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.132876 144.0
[M+Na]+ 221.114818 149.7
[M-H]- 197.118324 147.0
[M+NH4]+ 216.159423 163.5
[M+K]+ 237.088758 148.9
[M+H-H2O]+ 181.122860 138.5
[M+HCOO]- 243.123801 163.7
[M+CH3COO]- 257.139451 185.3
[M+Na-2H]- 219.100266 145.8
[M]+ 198.12505142 143.4
[M]- 198.12614858 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.