CID 14110

N-ethyl-o-toluenesulfonamide

Structural Information

Molecular Formula

C₉H₁₃NO₂S

SMILES

CCNS(=O)(=O)C1=CC=CC=C1C

InChI

InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3

InChIKey

NATWUQFQFMZVMT-UHFFFAOYSA-N

Compound name

N-ethyl-2-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1665
Patents: 199.0667 Da
Monoisotopic Mass: 1.6
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]+	200.07398	142.6
[M+Na]+	222.05592	153.8
[M+NH4]+	217.10052	150.6
[M+K]+	238.02986	146.2
[M-H]-	198.05942	144.3
[M+Na-2H]-	220.04137	148.6
[M]+	199.06615	145.0
[M]-	199.06725	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe