CID 138710

6267-39-6

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CCOC1=CC(=O)CC(C1)(C)C

InChI

InChI=1S/C10H16O2/c1-4-12-9-5-8(11)6-10(2,3)7-9/h5H,4,6-7H2,1-3H3

InChIKey

HALCXXAVLJHSTJ-UHFFFAOYSA-N

Compound name

3-ethoxy-5,5-dimethylcyclohex-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 168.11504 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]+	169.12232	136.6
[M+Na]+	191.10426	148.6
[M+NH4]+	186.14886	146.6
[M+K]+	207.07820	140.3
[M-H]-	167.10776	138.5
[M+Na-2H]-	189.08971	143.5
[M]+	168.11449	138.9
[M]-	168.11559	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe