CID 152825185

Methyl 4-ethyl-4-methyl-2-oxocyclohexane-1-carboxylate

Structural Information

Molecular Formula
C11H18O3
SMILES
CCC1(CCC(C(=O)C1)C(=O)OC)C
InChI
InChI=1S/C11H18O3/c1-4-11(2)6-5-8(9(12)7-11)10(13)14-3/h8H,4-7H2,1-3H3
InChIKey
SUYNJYUSBOINHK-UHFFFAOYSA-N
Compound name
methyl 4-ethyl-4-methyl-2-oxocyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.1256 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13288 142.6
[M+Na]+ 221.11482 149.2
[M-H]- 197.11832 146.0
[M+NH4]+ 216.15942 164.2
[M+K]+ 237.08876 148.7
[M+H-H2O]+ 181.12286 138.2
[M+HCOO]- 243.12380 162.3
[M+CH3COO]- 257.13945 184.8
[M+Na-2H]- 219.10027 145.7
[M]+ 198.12505 142.4
[M]- 198.12615 142.4
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.