CID 363138

Nsc627720

Structural Information

Molecular Formula

C₁₁H₁₇NO₂S

SMILES

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

InChI

InChI=1S/C11H17NO2S/c1-4-11(2,3)12-15(13,14)10-8-6-5-7-9-10/h5-9,12H,4H2,1-3H3

InChIKey

REOBTHQZMVAVFT-UHFFFAOYSA-N

Compound name

N-(2-methylbutan-2-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 227.098 Da
Monoisotopic Mass: 2.4
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]+	228.10528	150.3
[M+Na]+	250.08722	157.2
[M-H]-	226.09072	153.9
[M+NH4]+	245.13182	168.6
[M+K]+	266.06116	154.3
[M+H-H2O]+	210.09526	144.5
[M+HCOO]-	272.09620	167.6
[M+CH3COO]-	286.11185	189.1
[M+Na-2H]-	248.07267	156.0
[M]+	227.09745	152.7
[M]-	227.09855	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe