CID 200338

4-piperidinocyclohexyl acetate

Structural Information

Molecular Formula

C₁₃H₂₃NO₂

SMILES

CC(=O)OC1CCC(CC1)N2CCCCC2

InChI

InChI=1S/C13H23NO2/c1-11(15)16-13-7-5-12(6-8-13)14-9-3-2-4-10-14/h12-13H,2-10H2,1H3

InChIKey

HCDGMLMWTNNERJ-UHFFFAOYSA-N

Compound name

(4-piperidin-1-ylcyclohexyl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.17288 Da
Monoisotopic Mass: 2.3
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]+	226.180156	155.3
[M+Na]+	248.162098	156.9
[M-H]-	224.165604	158.5
[M+NH4]+	243.206703	171.3
[M+K]+	264.136038	155.5
[M+H-H2O]+	208.170140	147.1
[M+HCOO]-	270.171081	169.5
[M+CH3COO]-	284.186731	188.4
[M+Na-2H]-	246.147546	155.8
[M]+	225.17233142	147.7
[M]-	225.17342858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.