CID 2324616

4-(piperidine-1-sulfonyl)phenol

Structural Information

Molecular Formula

C₁₁H₁₅NO₃S

SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C11H15NO3S/c13-10-4-6-11(7-5-10)16(14,15)12-8-2-1-3-9-12/h4-7,13H,1-3,8-9H2

InChIKey

GCOFHGOPYNTGRT-UHFFFAOYSA-N

Compound name

4-piperidin-1-ylsulfonylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 241.07727 Da
Monoisotopic Mass: 1.6
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]+	242.08455	151.6
[M+Na]+	264.06649	157.8
[M-H]-	240.06999	155.1
[M+NH4]+	259.11109	167.2
[M+K]+	280.04043	154.1
[M+H-H2O]+	224.07453	144.7
[M+HCOO]-	286.07547	164.3
[M+CH3COO]-	300.09112	184.0
[M+Na-2H]-	262.05194	155.0
[M]+	241.07672	149.1
[M]-	241.07782	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe