CID 93856

Ethyl (cyclohexyloxy)acetate

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CCOC(=O)COC1CCCCC1

InChI

InChI=1S/C10H18O3/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h9H,2-8H2,1H3

InChIKey

QTHOIRQZIDLRIC-UHFFFAOYSA-N

Compound name

ethyl 2-cyclohexyloxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 186.1256 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	187.132876	142.8
[M+Na]+	209.114818	146.6
[M-H]-	185.118324	145.1
[M+NH4]+	204.159423	162.1
[M+K]+	225.088758	146.6
[M+H-H2O]+	169.122860	136.7
[M+HCOO]-	231.123801	162.5
[M+CH3COO]-	245.139451	180.8
[M+Na-2H]-	207.100266	146.2
[M]+	186.12505142	141.7
[M]-	186.12614858	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe