CID 546470

4-ethoxycyclohexanone

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CCOC1CCC(=O)CC1

InChI

InChI=1S/C8H14O2/c1-2-10-8-5-3-7(9)4-6-8/h8H,2-6H2,1H3

InChIKey

LVEFFFUKMDNCBN-UHFFFAOYSA-N

Compound name

4-ethoxycyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 178
Patents: 142.09938 Da
Monoisotopic Mass: 0.7
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]+	143.10666	130.1
[M+Na]+	165.08860	141.0
[M+NH4]+	160.13320	139.0
[M+K]+	181.06254	134.9
[M-H]-	141.09210	131.9
[M+Na-2H]-	163.07405	135.2
[M]+	142.09883	131.9
[M]-	142.09993	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe