CID 106667

3-methyloct-1-en-3-yl acetate

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CCCCCC(C)(C=C)OC(=O)C

InChI

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

InChIKey

XQORIFSEERBMJT-UHFFFAOYSA-N

Compound name

3-methyloct-1-en-3-yl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 184.14633 Da
Monoisotopic Mass: 3.3
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	145.1
[M+Na]+	207.13555	154.2
[M+NH4]+	202.18015	151.7
[M+K]+	223.10949	149.0
[M-H]-	183.13905	143.2
[M+Na-2H]-	205.12100	147.4
[M]+	184.14578	145.6
[M]-	184.14688	145.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.