CID 11743

N,n,4-trimethylbenzenesulfonamide

Structural Information

Molecular Formula

C₉H₁₃NO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C

InChI

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

InChIKey

WZKOKGOAHBIPCI-UHFFFAOYSA-N

Compound name

N,N,4-trimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 552
Patents: 199.0667 Da
Monoisotopic Mass: 2.9
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	142.4
[M+Na]+	222.05592	153.8
[M+NH4]+	217.10052	150.7
[M+K]+	238.02986	146.8
[M-H]-	198.05942	144.4
[M+Na-2H]-	220.04137	148.7
[M]+	199.06615	145.0
[M]-	199.06725	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe