CID 245582

5-tert-butyl-2-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula

C₁₁H₁₇NO₂S

SMILES

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

InChI

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

InChIKey

GDAZNHHHMOTQGK-UHFFFAOYSA-N

Compound name

5-tert-butyl-2-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 227.098 Da
Monoisotopic Mass: 2.5
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	149.5
[M+Na]+	250.08722	158.2
[M-H]-	226.09072	153.3
[M+NH4]+	245.13182	168.2
[M+K]+	266.06116	155.0
[M+H-H2O]+	210.09526	144.2
[M+HCOO]-	272.09620	166.0
[M+CH3COO]-	286.11185	190.2
[M+Na-2H]-	248.07267	153.0
[M]+	227.09745	151.5
[M]-	227.09855	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe