CID 121782

30574-44-8

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

CC(CCC=C(C)COC(=O)C)C=C

InChI

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

InChIKey

KHXMGJZMOXCCNP-UHFFFAOYSA-N

Compound name

2,6-dimethylocta-2,7-dienyl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1951
Patents: 196.14633 Da
Monoisotopic Mass: 3.5
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	148.7
[M+Na]+	219.13555	153.9
[M-H]-	195.13905	148.4
[M+NH4]+	214.18015	168.2
[M+K]+	235.10949	152.6
[M+H-H2O]+	179.14359	143.6
[M+HCOO]-	241.14453	168.7
[M+CH3COO]-	255.16018	187.7
[M+Na-2H]-	217.12100	149.0
[M]+	196.14578	151.0
[M]-	196.14688	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe