CID 11126470

Methyl 2-cyclohexylideneacetate

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

COC(=O)C=C1CCCCC1

InChI

InChI=1S/C9H14O2/c1-11-9(10)7-8-5-3-2-4-6-8/h7H,2-6H2,1H3

InChIKey

SSYXINHPLNNOSJ-UHFFFAOYSA-N

Compound name

methyl 2-cyclohexylideneacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 154.09938 Da
Monoisotopic Mass: 2.1
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]+	155.10666	134.9
[M+Na]+	177.08860	145.0
[M+NH4]+	172.13320	143.3
[M+K]+	193.06254	139.1
[M-H]-	153.09210	136.1
[M+Na-2H]-	175.07405	139.5
[M]+	154.09883	136.4
[M]-	154.09993	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe