CID 129210849

4-ethynyl-n,n-dimethylbenzene-1-sulfonamide

Structural Information

Molecular Formula

C₁₀H₁₁NO₂S

SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C#C

InChI

InChI=1S/C10H11NO2S/c1-4-9-5-7-10(8-6-9)14(12,13)11(2)3/h1,5-8H,2-3H3

InChIKey

ZEEFKRPBSPCJOE-UHFFFAOYSA-N

Compound name

4-ethynyl-N,N-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 209.05106 Da
Monoisotopic Mass: 2.8
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]+	210.058336	152.0
[M+Na]+	232.040278	162.6
[M-H]-	208.043784	156.4
[M+NH4]+	227.084883	169.7
[M+K]+	248.014218	159.8
[M+H-H2O]+	192.048320	140.2
[M+HCOO]-	254.049261	166.0
[M+CH3COO]-	268.064911	196.0
[M+Na-2H]-	230.025726	154.5
[M]+	209.05051142	149.8
[M]-	209.05160858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe