CID 2512733

186412-62-4

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂S

SMILES

C1CN(CCN1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C11H16N2O2S/c14-16(15,13-8-6-12-7-9-13)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2

InChIKey

FXLVCHSCGBTGPL-UHFFFAOYSA-N

Compound name

1-benzylsulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
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	152.9
[M+Na]+	263.08247	158.5
[M-H]-	239.08597	154.6
[M+NH4]+	258.12707	167.0
[M+K]+	279.05641	154.0
[M+H-H2O]+	223.09051	145.2
[M+HCOO]-	285.09145	164.1
[M+CH3COO]-	299.10710	183.5
[M+Na-2H]-	261.06792	156.8
[M]+	240.09270	149.0
[M]-	240.09380	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe