CID 4961814

5-(aminomethyl)thiophene-2-sulfonamide

Structural Information

Molecular Formula

C₅H₈N₂O₂S₂

SMILES

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

InChI

InChI=1S/C5H8N2O2S2/c6-3-4-1-2-5(10-4)11(7,8)9/h1-2H,3,6H2,(H2,7,8,9)

InChIKey

BAFJJOAPLFRFQZ-UHFFFAOYSA-N

Compound name

5-(aminomethyl)thiophene-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 192.00272 Da
Monoisotopic Mass: -0.6
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]+	193.01000	137.4
[M+Na]+	214.99194	146.4
[M-H]-	190.99544	140.3
[M+NH4]+	210.03654	158.1
[M+K]+	230.96588	142.0
[M+H-H2O]+	174.99998	131.9
[M+HCOO]-	237.00092	152.4
[M+CH3COO]-	251.01657	180.5
[M+Na-2H]-	212.97739	138.8
[M]+	192.00217	137.2
[M]-	192.00327	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe