CID 6365338

3,5,5-trimethylhex-2-enyl acetate

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

C/C(=C\COC(=O)C)/CC(C)(C)C

InChI

InChI=1S/C11H20O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h6H,7-8H2,1-5H3/b9-6+

InChIKey

YMBDREVCDCFLPE-RMKNXTFCSA-N

Compound name

[(E)-3,5,5-trimethylhex-2-enyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 184.14633 Da
Monoisotopic Mass: 3.2
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]+	185.15361	145.4
[M+Na]+	207.13555	154.2
[M+NH4]+	202.18015	151.9
[M+K]+	223.10949	149.8
[M-H]-	183.13905	143.3
[M+Na-2H]-	205.12100	147.3
[M]+	184.14578	145.8
[M]-	184.14688	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe