CID 211877

23705-41-1

Structural Information

Molecular Formula

C₁₀H₁₅NO₂S

SMILES

CCC(C)NS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H15NO2S/c1-3-9(2)11-14(12,13)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3

InChIKey

OTERCKKGWQONJU-UHFFFAOYSA-N

Compound name

N-butan-2-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 213.08235 Da
Monoisotopic Mass: 2.2
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]+	214.08963	145.5
[M+Na]+	236.07157	152.3
[M-H]-	212.07507	149.2
[M+NH4]+	231.11617	164.3
[M+K]+	252.04551	149.6
[M+H-H2O]+	196.07961	139.5
[M+HCOO]-	258.08055	163.6
[M+CH3COO]-	272.09620	186.5
[M+Na-2H]-	234.05702	149.8
[M]+	213.08180	147.5
[M]-	213.08290	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe