CID 28775624

2803828-76-2

Structural Information

Molecular Formula

C₆H₁₅N₃O₂S

SMILES

CCNS(=O)(=O)N1CCNCC1

InChI

InChI=1S/C6H15N3O2S/c1-2-8-12(10,11)9-5-3-7-4-6-9/h7-8H,2-6H2,1H3

InChIKey

RXHLCOUMVREAGG-UHFFFAOYSA-N

Compound name

N-ethylpiperazine-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 193.0885 Da
Monoisotopic Mass: -1.0
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]+	194.09578	141.1
[M+Na]+	216.07772	146.4
[M-H]-	192.08122	139.8
[M+NH4]+	211.12232	157.1
[M+K]+	232.05166	143.7
[M+H-H2O]+	176.08576	134.5
[M+HCOO]-	238.08670	153.2
[M+CH3COO]-	252.10235	177.6
[M+Na-2H]-	214.06317	145.3
[M]+	193.08795	137.1
[M]-	193.08905	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe