CID 832420

1-(phenylsulfinyl)piperidine

Structural Information

Molecular Formula

C₁₁H₁₅NOS

SMILES

C1CCN(CC1)S(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H15NOS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2

InChIKey

LBRJCAJLGAXDKP-UHFFFAOYSA-N

Compound name

1-(benzenesulfinyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 164
Patents: 209.08743 Da
Monoisotopic Mass: 2.4
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]+	210.09471	144.1
[M+Na]+	232.07665	156.4
[M+NH4]+	227.12125	153.6
[M+K]+	248.05059	147.4
[M-H]-	208.08015	148.1
[M+Na-2H]-	230.06210	151.8
[M]+	209.08688	147.4
[M]-	209.08798	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe