CID 3614199

5-methyl-2-pyridinesulfonamide

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

CC1=CN=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C6H8N2O2S/c1-5-2-3-6(8-4-5)11(7,9)10/h2-4H,1H3,(H2,7,9,10)

InChIKey

HXURYNQXMBRJLU-UHFFFAOYSA-N

Compound name

5-methylpyridine-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 187
Patents: 172.03065 Da
Monoisotopic Mass: 0.1
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]+	173.03793	132.2
[M+Na]+	195.01987	141.9
[M-H]-	171.02337	134.9
[M+NH4]+	190.06447	151.4
[M+K]+	210.99381	139.1
[M+H-H2O]+	155.02791	126.3
[M+HCOO]-	217.02885	150.7
[M+CH3COO]-	231.04450	176.7
[M+Na-2H]-	193.00532	137.8
[M]+	172.03010	133.1
[M]-	172.03120	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe