CID 21595

Ethyl cyclohexylacetate

Structural Information

Molecular Formula
C10H18O2
SMILES
CCOC(=O)CC1CCCCC1
InChI
InChI=1S/C10H18O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKey
ZBDAMDWKXGTKBT-UHFFFAOYSA-N
Compound name
ethyl 2-cyclohexylacetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

18
References

3639
Patents

170.13068 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 139.9
[M+Na]+ 193.119898 143.8
[M-H]- 169.123404 142.3
[M+NH4]+ 188.164503 160.0
[M+K]+ 209.093838 143.3
[M+H-H2O]+ 153.127940 134.1
[M+HCOO]- 215.128881 159.4
[M+CH3COO]- 229.144531 178.8
[M+Na-2H]- 191.105346 143.3
[M]+ 170.13013142 137.3
[M]- 170.13122858 137.3
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