CID 23548727

4-hydroxy-n-(propan-2-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula

C₉H₁₃NO₃S

SMILES

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

InChI

InChI=1S/C9H13NO3S/c1-7(2)10-14(12,13)9-5-3-8(11)4-6-9/h3-7,10-11H,1-2H3

InChIKey

YEOBZRKHWNKLFZ-UHFFFAOYSA-N

Compound name

4-hydroxy-N-propan-2-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 215.06161 Da
Monoisotopic Mass: 1.3
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]+	216.06889	145.6
[M+Na]+	238.05083	155.4
[M+NH4]+	233.09543	152.6
[M+K]+	254.02477	149.6
[M-H]-	214.05433	146.0
[M+Na-2H]-	236.03628	150.3
[M]+	215.06106	147.4
[M]-	215.06216	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe