CID 2761087

849035-90-1

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂S

SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)N

InChI

InChI=1S/C12H18N2O2S/c1-17(15,16)10-5-6-12(11(13)9-10)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8,13H2,1H3

InChIKey

ZFSSZKHDZLBLAU-UHFFFAOYSA-N

Compound name

5-methylsulfonyl-2-piperidin-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 254.1089 Da
Monoisotopic Mass: 1.4
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]+	255.11618	156.0
[M+Na]+	277.09812	166.6
[M+NH4]+	272.14272	163.6
[M+K]+	293.07206	159.4
[M-H]-	253.10162	158.9
[M+Na-2H]-	275.08357	162.0
[M]+	254.10835	158.6
[M]-	254.10945	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe