CID 54039465

2-(pyridin-4-yl)ethane-1-sulfonamide

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

C1=CN=CC=C1CCS(=O)(=O)N

InChI

InChI=1S/C7H10N2O2S/c8-12(10,11)6-3-7-1-4-9-5-2-7/h1-2,4-5H,3,6H2,(H2,8,10,11)

InChIKey

LLHXCEBLNHEFEU-UHFFFAOYSA-N

Compound name

2-pyridin-4-ylethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 186.0463 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]+	187.05358	137.7
[M+Na]+	209.03552	148.4
[M+NH4]+	204.08012	145.0
[M+K]+	225.00946	141.6
[M-H]-	185.03902	138.3
[M+Na-2H]-	207.02097	143.4
[M]+	186.04575	139.6
[M]-	186.04685	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe