CID 704295

27106-51-0

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCC2

InChI

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

InChIKey

VHFDYFUMWJSVCA-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)sulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 367
Patents: 240.09325 Da
Monoisotopic Mass: 0.8
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