CID 214230

4'-methylsulfinyl-3-piperidinopropiophenone hydrochloride

Structural Information

Molecular Formula

C₁₅H₂₁NO₂S

SMILES

CS(=O)C1=CC=C(C=C1)C(=O)CCN2CCCCC2

InChI

InChI=1S/C15H21NO2S/c1-19(18)14-7-5-13(6-8-14)15(17)9-12-16-10-3-2-4-11-16/h5-8H,2-4,9-12H2,1H3

InChIKey

ITGRANRGPGDJEL-UHFFFAOYSA-N

Compound name

1-(4-methylsulfinylphenyl)-3-piperidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.1293 Da
Monoisotopic Mass: 1.5
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]+	280.136576	164.1
[M+Na]+	302.118518	168.1
[M-H]-	278.122024	168.2
[M+NH4]+	297.163123	178.6
[M+K]+	318.092458	164.5
[M+H-H2O]+	262.126560	156.0
[M+HCOO]-	324.127501	176.2
[M+CH3COO]-	338.143151	197.7
[M+Na-2H]-	300.103966	162.9
[M]+	279.12875142	162.6
[M]-	279.12984858	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.