CID 3162838

608523-94-0

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂S

SMILES

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

InChI

InChI=1S/C10H16N2O2S/c1-10(2,3)12-15(13,14)9-6-4-5-8(11)7-9/h4-7,12H,11H2,1-3H3

InChIKey

KLQVFEHOLLUULE-UHFFFAOYSA-N

Compound name

3-amino-N-tert-butylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 151
Patents: 228.09325 Da
Monoisotopic Mass: 1.0
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]+	229.10053	151.8
[M+Na]+	251.08247	160.8
[M+NH4]+	246.12707	158.7
[M+K]+	267.05641	155.0
[M-H]-	227.08597	152.8
[M+Na-2H]-	249.06792	156.7
[M]+	228.09270	153.7
[M]-	228.09380	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe