CID 86027

16556-48-2

Structural Information

Molecular Formula

C₁₃H₂₂O₂

SMILES

CC(=O)C1C(CC(=CC1(C)C)OC)(C)C

InChI

InChI=1S/C13H22O2/c1-9(14)11-12(2,3)7-10(15-6)8-13(11,4)5/h7,11H,8H2,1-6H3

InChIKey

ZGMRSDALCWKJIM-UHFFFAOYSA-N

Compound name

1-(4-methoxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 15
Patents: 210.16199 Da
Monoisotopic Mass: 2.8
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]+	211.16927	143.7
[M+Na]+	233.15121	152.1
[M-H]-	209.15471	148.0
[M+NH4]+	228.19581	167.4
[M+K]+	249.12515	151.4
[M+H-H2O]+	193.15925	140.4
[M+HCOO]-	255.16019	163.8
[M+CH3COO]-	269.17584	190.9
[M+Na-2H]-	231.13666	147.6
[M]+	210.16144	145.8
[M]-	210.16254	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe