CID 2761095

4-(4-methylbenzenesulfonyl)piperidine hydrochloride

Structural Information

Molecular Formula
C12H17NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2CCNCC2
InChI
InChI=1S/C12H17NO2S/c1-10-2-4-11(5-3-10)16(14,15)12-6-8-13-9-7-12/h2-5,12-13H,6-9H2,1H3
InChIKey
PUMOKCFNAGLGPN-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)sulfonylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

239.098 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10528 152.6
[M+Na]+ 262.08722 158.6
[M-H]- 238.09072 156.0
[M+NH4]+ 257.13182 168.4
[M+K]+ 278.06116 154.1
[M+H-H2O]+ 222.09526 145.8
[M+HCOO]- 284.09620 164.7
[M+CH3COO]- 298.11185 184.9
[M+Na-2H]- 260.07267 155.4
[M]+ 239.09745 149.0
[M]- 239.09855 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

No literature data available for this compound.

Patent stripe

patents stripe