CID 2380543

138890-94-5

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₃S₂

SMILES

C1CN(CCN1CCO)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C10H16N2O3S2/c13-8-7-11-3-5-12(6-4-11)17(14,15)10-2-1-9-16-10/h1-2,9,13H,3-8H2

InChIKey

RASALZQUWSDFAH-UHFFFAOYSA-N

Compound name

2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 276.06024 Da
Monoisotopic Mass: 0.2
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]+	277.06752	160.6
[M+Na]+	299.04946	167.6
[M-H]-	275.05296	162.7
[M+NH4]+	294.09406	175.8
[M+K]+	315.02340	163.2
[M+H-H2O]+	259.05750	154.4
[M+HCOO]-	321.05844	168.0
[M+CH3COO]-	335.07409	188.4
[M+Na-2H]-	297.03491	160.1
[M]+	276.05969	160.2
[M]-	276.06079	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe