CID 16227253

5-(aminomethyl)-n-methylthiophene-2-sulfonamide hydrochloride

Structural Information

Molecular Formula

C₆H₁₀N₂O₂S₂

SMILES

CNS(=O)(=O)C1=CC=C(S1)CN

InChI

InChI=1S/C6H10N2O2S2/c1-8-12(9,10)6-3-2-5(4-7)11-6/h2-3,8H,4,7H2,1H3

InChIKey

YGVKXBWOVIQSEB-UHFFFAOYSA-N

Compound name

5-(aminomethyl)-N-methylthiophene-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.01837 Da
Monoisotopic Mass: -0.2
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]+	207.025646	141.6
[M+Na]+	229.007588	150.2
[M-H]-	205.011094	144.8
[M+NH4]+	224.052193	162.0
[M+K]+	244.981528	145.9
[M+H-H2O]+	189.015630	135.9
[M+HCOO]-	251.016571	156.9
[M+CH3COO]-	265.032221	184.0
[M+Na-2H]-	226.993036	143.5
[M]+	206.01782142	142.7
[M]-	206.01891858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.