CID 799296

106003-69-4

Structural Information

Molecular Formula

C₁₀H₁₅NO₂S

SMILES

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

InChI

InChI=1S/C10H15NO2S/c1-7-5-8(2)10(9(3)6-7)14(12,13)11-4/h5-6,11H,1-4H3

InChIKey

MIMYTDNFDINXHB-UHFFFAOYSA-N

Compound name

N,2,4,6-tetramethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 213.08235 Da
Monoisotopic Mass: 2.0
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]+	214.08963	143.5
[M+Na]+	236.07157	153.2
[M-H]-	212.07507	148.2
[M+NH4]+	231.11617	163.3
[M+K]+	252.04551	150.1
[M+H-H2O]+	196.07961	138.1
[M+HCOO]-	258.08055	162.5
[M+CH3COO]-	272.09620	189.2
[M+Na-2H]-	234.05702	147.0
[M]+	213.08180	147.3
[M]-	213.08290	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe