CID 7147155

6-amino-n-tert-butylpyridine-3-sulfonamide

Structural Information

Molecular Formula
C9H15N3O2S
SMILES
CC(C)(C)NS(=O)(=O)C1=CN=C(C=C1)N
InChI
InChI=1S/C9H15N3O2S/c1-9(2,3)12-15(13,14)7-4-5-8(10)11-6-7/h4-6,12H,1-3H3,(H2,10,11)
InChIKey
HPDHKHFOADQBPP-UHFFFAOYSA-N
Compound name
6-amino-N-tert-butylpyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

229.0885 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09578 150.2
[M+Na]+ 252.07772 158.0
[M-H]- 228.08122 152.4
[M+NH4]+ 247.12232 166.7
[M+K]+ 268.05166 154.8
[M+H-H2O]+ 212.08576 143.7
[M+HCOO]- 274.08670 167.1
[M+CH3COO]- 288.10235 190.7
[M+Na-2H]- 250.06317 155.8
[M]+ 229.08795 150.7
[M]- 229.08905 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe