CID 735904

187669-60-9

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂S

SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2CCNCC2

InChI

InChI=1S/C11H16N2O2S/c1-16(14,15)11-4-2-10(3-5-11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3

InChIKey

KNQFDOLIXOOIGX-UHFFFAOYSA-N

Compound name

1-(4-methylsulfonylphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 148
Patents: 240.09325 Da
Monoisotopic Mass: 0.4
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]+	241.10053	152.6
[M+Na]+	263.08247	164.0
[M+NH4]+	258.12707	159.9
[M+K]+	279.05641	156.6
[M-H]-	239.08597	154.1
[M+Na-2H]-	261.06792	158.7
[M]+	240.09270	155.0
[M]-	240.09380	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe