CID 214232

Propiophenone, 4'-methylsulfonyl-3-piperidino-, hydrochloride

Structural Information

Molecular Formula

C₁₅H₂₁NO₃S

SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-20(18,19)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

HBUCAWKUJYFWFS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 295.1242 Da
Monoisotopic Mass: 1.7
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]+	296.131476	167.4
[M+Na]+	318.113418	172.3
[M-H]-	294.116924	171.7
[M+NH4]+	313.158023	181.3
[M+K]+	334.087358	168.5
[M+H-H2O]+	278.121460	159.7
[M+HCOO]-	340.122401	179.4
[M+CH3COO]-	354.138051	198.5
[M+Na-2H]-	316.098866	168.4
[M]+	295.12365142	166.9
[M]-	295.12474858	166.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.