CID 66452

80-19-3

Structural Information

Molecular Formula

C₉H₁₄N₂O₃S

SMILES

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

InChI

InChI=1S/C9H14N2O3S/c1-6(2)11-15(13,14)7-3-4-9(12)8(10)5-7/h3-6,11-12H,10H2,1-2H3

InChIKey

FTKHOHJWUYHTPW-UHFFFAOYSA-N

Compound name

3-amino-4-hydroxy-N-propan-2-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 230.07251 Da
Monoisotopic Mass: 0.7
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]+	231.07979	149.3
[M+Na]+	253.06173	157.8
[M+NH4]+	248.10633	155.5
[M+K]+	269.03567	152.9
[M-H]-	229.06523	149.7
[M+Na-2H]-	251.04718	153.0
[M]+	230.07196	150.7
[M]-	230.07306	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe