CID 82480

Gamma-terpinyl acetate

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

CC(=C1CCC(CC1)(C)OC(=O)C)C

InChI

InChI=1S/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h5-8H2,1-4H3

InChIKey

ZKKBZSOYCMSYRW-UHFFFAOYSA-N

Compound name

(1-methyl-4-propan-2-ylidenecyclohexyl) acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 139
Patents: 196.14633 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]+	197.15361	145.6
[M+Na]+	219.13555	150.7
[M-H]-	195.13905	148.6
[M+NH4]+	214.18015	167.0
[M+K]+	235.10949	149.9
[M+H-H2O]+	179.14359	141.0
[M+HCOO]-	241.14453	163.7
[M+CH3COO]-	255.16018	184.8
[M+Na-2H]-	217.12100	147.4
[M]+	196.14578	143.1
[M]-	196.14688	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe