CID 3162838

3-amino-n-(tert-butyl)benzenesulfonamide

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

148
Patents

228.09325 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.100526 149.7
[M+Na]+ 251.082468 157.0
[M-H]- 227.085974 153.1
[M+NH4]+ 246.127073 167.6
[M+K]+ 267.056408 153.8
[M+H-H2O]+ 211.090510 143.8
[M+HCOO]- 273.091451 167.5
[M+CH3COO]- 287.107101 191.0
[M+Na-2H]- 249.067916 154.8
[M]+ 228.09270142 150.1
[M]- 228.09379858 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe