CID 539249

Cyclogeranyl acetate

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

CC1=CCCC(C1COC(=O)C)(C)C

InChI

InChI=1S/C12H20O2/c1-9-6-5-7-12(3,4)11(9)8-14-10(2)13/h6,11H,5,7-8H2,1-4H3

InChIKey

OGVKVTLZVLENPM-UHFFFAOYSA-N

Compound name

(2,6,6-trimethylcyclohex-2-en-1-yl)methyl acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1
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	145.7
[M+Na]+	219.13555	156.9
[M+NH4]+	214.18015	155.3
[M+K]+	235.10949	149.0
[M-H]-	195.13905	147.3
[M+Na-2H]-	217.12100	151.7
[M]+	196.14578	147.8
[M]-	196.14688	147.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.