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: 11
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]+	256.100186	155.9
[M+Na]+	278.082128	161.7
[M-H]-	254.085634	159.2
[M+NH4]+	273.126733	170.9
[M+K]+	294.056068	157.8
[M+H-H2O]+	238.090170	148.9
[M+HCOO]-	300.091111	168.3
[M+CH3COO]-	314.106761	187.0
[M+Na-2H]-	276.067576	158.9
[M]+	255.09236142	153.7
[M]-	255.09345858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe