CID 111037

Terpinyl acetate

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

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

InChI

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

InChIKey

IGODOXYLBBXFDW-UHFFFAOYSA-N

Compound name

2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 54
References: 10805
Patents: 196.14633 Da
Monoisotopic Mass: 2.4
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	145.9
[M+Na]+	219.13555	156.3
[M+NH4]+	214.18015	153.8
[M+K]+	235.10949	151.1
[M-H]-	195.13905	146.8
[M+Na-2H]-	217.12100	150.5
[M]+	196.14578	147.6
[M]-	196.14688	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe