CID 54857481

2375274-27-2

Structural Information

Molecular Formula

C₆H₉N₃O₂S

SMILES

C1=CC(=NC=C1CN)S(=O)(=O)N

InChI

InChI=1S/C6H9N3O2S/c7-3-5-1-2-6(9-4-5)12(8,10)11/h1-2,4H,3,7H2,(H2,8,10,11)

InChIKey

SKBSXDAOGNSTNE-UHFFFAOYSA-N

Compound name

5-(aminomethyl)pyridine-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 187.04155 Da
Monoisotopic Mass: -1.4
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	136.1
[M+Na]+	210.03077	144.8
[M-H]-	186.03427	138.0
[M+NH4]+	205.07537	153.9
[M+K]+	226.00471	141.4
[M+H-H2O]+	170.03881	129.6
[M+HCOO]-	232.03975	154.9
[M+CH3COO]-	246.05540	181.2
[M+Na-2H]-	208.01622	141.2
[M]+	187.04100	135.1
[M]-	187.04210	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe