CID 101413597

(r)-2-acetoxy-p-mentha-1,8-diene

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

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

InChI

InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h11H,1,5-7H2,2-4H3

InChIKey

JHXHCWZOYQCWJN-UHFFFAOYSA-N

Compound name

(2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl) 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]+	195.137956	143.4
[M+Na]+	217.119898	149.5
[M-H]-	193.123404	146.8
[M+NH4]+	212.164503	163.2
[M+K]+	233.093838	148.2
[M+H-H2O]+	177.127940	138.1
[M+HCOO]-	239.128881	163.0
[M+CH3COO]-	253.144531	186.8
[M+Na-2H]-	215.105346	144.4
[M]+	194.13013142	142.5
[M]-	194.13122858	142.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.