CID 10890006

3-(3-(methylsulfonyl)phenyl)piperidine

Structural Information

Molecular Formula
C12H17NO2S
SMILES
CS(=O)(=O)C1=CC=CC(=C1)C2CCCNC2
InChI
InChI=1S/C12H17NO2S/c1-16(14,15)12-6-2-4-10(8-12)11-5-3-7-13-9-11/h2,4,6,8,11,13H,3,5,7,9H2,1H3
InChIKey
KMVLMAUQHRUFDO-UHFFFAOYSA-N
Compound name
3-(3-methylsulfonylphenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

239.098 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.105276 152.6
[M+Na]+ 262.087218 158.6
[M-H]- 238.090724 156.0
[M+NH4]+ 257.131823 168.4
[M+K]+ 278.061158 154.1
[M+H-H2O]+ 222.095260 145.8
[M+HCOO]- 284.096201 164.7
[M+CH3COO]- 298.111851 184.9
[M+Na-2H]- 260.072666 155.4
[M]+ 239.09745142 149.0
[M]- 239.09854858 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe