CID 17617

2705-87-5

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

C=CCOC(=O)CCC1CCCCC1

InChI

InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2

InChIKey

TWXUTZNBHUWMKJ-UHFFFAOYSA-N

Compound name

prop-2-enyl 3-cyclohexylpropanoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1
References: 6712
Patents: 196.14633 Da
Monoisotopic Mass: 3.8
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	147.6
[M+Na]+	219.13555	150.9
[M-H]-	195.13905	149.6
[M+NH4]+	214.18015	166.5
[M+K]+	235.10949	149.3
[M+H-H2O]+	179.14359	141.5
[M+HCOO]-	241.14453	166.6
[M+CH3COO]-	255.16018	184.0
[M+Na-2H]-	217.12100	149.9
[M]+	196.14578	145.0
[M]-	196.14688	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe