CID 15151435

Ethyl 4-methylenecyclohexanecarboxylate

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CCOC(=O)C1CCC(=C)CC1

InChI

InChI=1S/C10H16O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h9H,2-7H2,1H3

InChIKey

DLVGFWIRQAUWDC-UHFFFAOYSA-N

Compound name

ethyl 4-methylidenecyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 250
Patents: 168.11504 Da
Monoisotopic Mass: 1.9
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]+	169.12232	138.5
[M+Na]+	191.10426	148.8
[M+NH4]+	186.14886	146.6
[M+K]+	207.07820	142.8
[M-H]-	167.10776	139.7
[M+Na-2H]-	189.08971	142.6
[M]+	168.11449	140.0
[M]-	168.11559	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe