CID 160641

Ethyl 2-cyclohexylpropionate

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CCOC(=O)C(C)C1CCCCC1

InChI

InChI=1S/C11H20O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3

InChIKey

PZUDDXJZNSJESK-UHFFFAOYSA-N

Compound name

ethyl 2-cyclohexylpropanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 772
Patents: 184.14633 Da
Monoisotopic Mass: 3.7
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	144.2
[M+Na]+	207.13555	153.5
[M+NH4]+	202.18015	152.4
[M+K]+	223.10949	148.0
[M-H]-	183.13905	145.4
[M+Na-2H]-	205.12100	148.0
[M]+	184.14578	145.6
[M]-	184.14688	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe