CID 10821367

Ethyl 2-(4-methylcyclohexyl)acetate

Structural Information

Molecular Formula
C11H20O2
SMILES
CCOC(=O)CC1CCC(CC1)C
InChI
InChI=1S/C11H20O2/c1-3-13-11(12)8-10-6-4-9(2)5-7-10/h9-10H,3-8H2,1-2H3
InChIKey
IOJBKMOCKWBVJQ-UHFFFAOYSA-N
Compound name
ethyl 2-(4-methylcyclohexyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

184.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 143.6
[M+Na]+ 207.13555 148.1
[M-H]- 183.13905 146.3
[M+NH4]+ 202.18015 163.5
[M+K]+ 223.10949 147.3
[M+H-H2O]+ 167.14359 137.9
[M+HCOO]- 229.14453 162.8
[M+CH3COO]- 243.16018 183.0
[M+Na-2H]- 205.12100 145.9
[M]+ 184.14578 141.8
[M]- 184.14688 141.8
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.