CID 68974932

2-(pyrazin-2-yl)ethane-1-sulfonamide

Structural Information

Molecular Formula

C₆H₉N₃O₂S

SMILES

C1=CN=C(C=N1)CCS(=O)(=O)N

InChI

InChI=1S/C6H9N3O2S/c7-12(10,11)4-1-6-5-8-2-3-9-6/h2-3,5H,1,4H2,(H2,7,10,11)

InChIKey

FCGJVKZQICAHDU-UHFFFAOYSA-N

Compound name

2-pyrazin-2-ylethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 187.04155 Da
Monoisotopic Mass: -1.1
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]+	188.04883	136.8
[M+Na]+	210.03077	145.8
[M-H]-	186.03427	137.7
[M+NH4]+	205.07537	153.8
[M+K]+	226.00471	142.7
[M+H-H2O]+	170.03881	129.9
[M+HCOO]-	232.03975	154.1
[M+CH3COO]-	246.05540	178.4
[M+Na-2H]-	208.01622	143.2
[M]+	187.04100	137.8
[M]-	187.04210	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe