CID 145856801

1-(4-ethoxycyclohexyl)ethan-1-one

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CCOC1CCC(CC1)C(=O)C

InChI

InChI=1S/C10H18O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h9-10H,3-7H2,1-2H3

InChIKey

CWIABDLQRFNULR-UHFFFAOYSA-N

Compound name

1-(4-ethoxycyclohexyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.13068 Da
Monoisotopic Mass: 1.4
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]+	171.137956	138.8
[M+Na]+	193.119898	143.6
[M-H]-	169.123404	141.5
[M+NH4]+	188.164503	159.1
[M+K]+	209.093838	143.1
[M+H-H2O]+	153.127940	133.3
[M+HCOO]-	215.128881	158.3
[M+CH3COO]-	229.144531	180.6
[M+Na-2H]-	191.105346	141.6
[M]+	170.13013142	136.7
[M]-	170.13122858	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.