CID 3017615

Methyl (cyclohexyloxy)acetate

Structural Information

Molecular Formula

C₉H₁₆O₃

SMILES

COC(=O)COC1CCCCC1

InChI

InChI=1S/C9H16O3/c1-11-9(10)7-12-8-5-3-2-4-6-8/h8H,2-7H2,1H3

InChIKey

IPXUIDULMPWCJQ-UHFFFAOYSA-N

Compound name

methyl 2-cyclohexyloxyacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 7
Patents: 172.10994 Da
Monoisotopic Mass: 1.8
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]+	173.117216	138.1
[M+Na]+	195.099158	142.4
[M-H]-	171.102664	140.7
[M+NH4]+	190.143763	158.1
[M+K]+	211.073098	142.7
[M+H-H2O]+	155.107200	132.3
[M+HCOO]-	217.108141	158.2
[M+CH3COO]-	231.123791	177.8
[M+Na-2H]-	193.084606	142.1
[M]+	172.10939142	136.7
[M]-	172.11048858	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe