CID 33695611

Pyridin-3-ylmethanesulfonamide

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

C1=CC(=CN=C1)CS(=O)(=O)N

InChI

InChI=1S/C6H8N2O2S/c7-11(9,10)5-6-2-1-3-8-4-6/h1-4H,5H2,(H2,7,9,10)

InChIKey

AMSCUQGYIGXFOH-UHFFFAOYSA-N

Compound name

pyridin-3-ylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 142
Patents: 172.03065 Da
Monoisotopic Mass: -0.6
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]+	173.037926	132.4
[M+Na]+	195.019868	141.3
[M-H]-	171.023374	134.7
[M+NH4]+	190.064473	151.3
[M+K]+	210.993808	138.4
[M+H-H2O]+	155.027910	126.2
[M+HCOO]-	217.028851	151.0
[M+CH3COO]-	231.044501	175.6
[M+Na-2H]-	193.005316	138.7
[M]+	172.03010142	132.9
[M]-	172.03119858	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe