CID 85879

2-(4-methyl-3-cyclohexen-1-yl)propenyl acetate

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

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

InChI

InChI=1S/C12H18O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,8,12H,5-7H2,1-3H3

InChIKey

CKITWLJZALNJDV-UHFFFAOYSA-N

Compound name

2-(4-methylcyclohex-3-en-1-yl)prop-1-enyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.13068 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]+	195.13796	145.7
[M+Na]+	217.11990	156.2
[M+NH4]+	212.16450	153.5
[M+K]+	233.09384	150.4
[M-H]-	193.12340	146.8
[M+Na-2H]-	215.10535	149.8
[M]+	194.13013	147.3
[M]-	194.13123	147.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.