CID 61781

Limonen-10-yl acetate

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

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

InChI

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

InChIKey

BCTDJPZNMXPMIA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 5
Patents: 194.13068 Da
Monoisotopic Mass: 2.7
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]+	195.13796	145.6
[M+Na]+	217.11990	156.0
[M+NH4]+	212.16450	153.3
[M+K]+	233.09384	150.3
[M-H]-	193.12340	146.7
[M+Na-2H]-	215.10535	149.7
[M]+	194.13013	147.1
[M]-	194.13123	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe