CID 11736345

3077-63-2

Structural Information

Molecular Formula

C₁₀H₁₅NO₃S

SMILES

CCCCNS(=O)(=O)C1=CC=C(C=C1)O

InChI

InChI=1S/C10H15NO3S/c1-2-3-8-11-15(13,14)10-6-4-9(12)5-7-10/h4-7,11-12H,2-3,8H2,1H3

InChIKey

XTPPGSDLOGIRMD-UHFFFAOYSA-N

Compound name

N-butyl-4-hydroxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 229.07727 Da
Monoisotopic Mass: 1.8
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]+	230.08455	148.5
[M+Na]+	252.06649	155.8
[M-H]-	228.06999	150.9
[M+NH4]+	247.11109	166.1
[M+K]+	268.04043	152.1
[M+H-H2O]+	212.07453	142.6
[M+HCOO]-	274.07547	166.3
[M+CH3COO]-	288.09112	186.4
[M+Na-2H]-	250.05194	153.0
[M]+	229.07672	151.0
[M]-	229.07782	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe