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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07979 147.9
[M+Na]+ 253.06173 155.1
[M-H]- 229.06523 150.1
[M+NH4]+ 248.10633 164.9
[M+K]+ 269.03567 151.8
[M+H-H2O]+ 213.06977 141.9
[M+HCOO]- 275.07071 165.1
[M+CH3COO]- 289.08636 190.1
[M+Na-2H]- 251.04718 150.5
[M]+ 230.07196 147.8
[M]- 230.07306 147.8
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