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

34
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

literature stripe

Patent stripe

patents stripe