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]+ 199.13288 144.0
[M+Na]+ 221.11482 149.7
[M-H]- 197.11832 147.0
[M+NH4]+ 216.15942 163.5
[M+K]+ 237.08876 148.9
[M+H-H2O]+ 181.12286 138.5
[M+HCOO]- 243.12380 163.7
[M+CH3COO]- 257.13945 185.3
[M+Na-2H]- 219.10027 145.8
[M]+ 198.12505 143.4
[M]- 198.12615 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.