CID 54594228

3-methanesulfonylthiophen-2-amine

Structural Information

Molecular Formula

C₅H₇NO₂S₂

SMILES

CS(=O)(=O)C1=C(SC=C1)N

InChI

InChI=1S/C5H7NO2S2/c1-10(7,8)4-2-3-9-5(4)6/h2-3H,6H2,1H3

InChIKey

FOCQZIFKSJDMDX-UHFFFAOYSA-N

Compound name

3-methylsulfonylthiophen-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 176.99182 Da
Monoisotopic Mass: 1.0
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]+	177.999096	134.3
[M+Na]+	199.981038	144.4
[M-H]-	175.984544	138.1
[M+NH4]+	195.025643	156.5
[M+K]+	215.954978	140.8
[M+H-H2O]+	159.989080	129.6
[M+HCOO]-	221.990021	149.2
[M+CH3COO]-	236.005671	176.1
[M+Na-2H]-	197.966486	135.9
[M]+	176.99127142	136.1
[M]-	176.99236858	136.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.