CID 13607995

101769-01-1

Structural Information

Molecular Formula

C₁₂H₁₇NO₃S

SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2CCNCC2

InChI

InChI=1S/C12H17NO3S/c1-16-10-2-4-11(5-3-10)17(14,15)12-6-8-13-9-7-12/h2-5,12-13H,6-9H2,1H3

InChIKey

JMPBLOVCCHRJPM-UHFFFAOYSA-N

Compound name

4-(4-methoxyphenyl)sulfonylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 255.09291 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]+	256.10019	155.7
[M+Na]+	278.08213	166.6
[M+NH4]+	273.12673	163.1
[M+K]+	294.05607	159.2
[M-H]-	254.08563	157.5
[M+Na-2H]-	276.06758	161.6
[M]+	255.09236	158.0
[M]-	255.09346	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe