CID 65289

4-acetyl-1,4-dimethyl-1-cyclohexene

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1=CCC(CC1)(C)C(=O)C

InChI

InChI=1S/C10H16O/c1-8-4-6-10(3,7-5-8)9(2)11/h4H,5-7H2,1-3H3

InChIKey

BIUSXTISNNLMOR-UHFFFAOYSA-N

Compound name

1-(1,4-dimethylcyclohex-3-en-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 68
Patents: 152.12012 Da
Monoisotopic Mass: 1.7
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]+	153.12740	134.4
[M+Na]+	175.10934	146.2
[M+NH4]+	170.15394	145.0
[M+K]+	191.08328	138.0
[M-H]-	151.11284	136.7
[M+Na-2H]-	173.09479	141.6
[M]+	152.11957	136.8
[M]-	152.12067	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe