CID 114613043

2636814-74-7

Structural Information

Molecular Formula

C₆H₉N₃O₂S

SMILES

C1=CC(=NC=C1S(=O)(=O)N)CN

InChI

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

InChIKey

PSJFYNUZMOOKFP-UHFFFAOYSA-N

Compound name

6-(aminomethyl)pyridine-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 187.04155 Da
Monoisotopic Mass: -1.7
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]+	188.048826	136.1
[M+Na]+	210.030768	144.8
[M-H]-	186.034274	138.0
[M+NH4]+	205.075373	153.9
[M+K]+	226.004708	141.4
[M+H-H2O]+	170.038810	129.6
[M+HCOO]-	232.039751	154.9
[M+CH3COO]-	246.055401	181.2
[M+Na-2H]-	208.016216	141.2
[M]+	187.04100142	135.1
[M]-	187.04209858	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe