CID 3063885

Piperidine, 4-(ethylsulfonyl)-1-methyl-4-phenyl-, hydrochloride

Structural Information

Molecular Formula
C14H21NO2S
SMILES
CCS(=O)(=O)C1(CCN(CC1)C)C2=CC=CC=C2
InChI
InChI=1S/C14H21NO2S/c1-3-18(16,17)14(9-11-15(2)12-10-14)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
InChIKey
XRWPCDHQYDGLRD-UHFFFAOYSA-N
Compound name
4-ethylsulfonyl-1-methyl-4-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1293 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.136576 160.6
[M+Na]+ 290.118518 167.0
[M-H]- 266.122024 165.3
[M+NH4]+ 285.163123 178.0
[M+K]+ 306.092458 163.5
[M+H-H2O]+ 250.126560 153.7
[M+HCOO]- 312.127501 173.6
[M+CH3COO]- 326.143151 193.0
[M+Na-2H]- 288.103966 164.2
[M]+ 267.12875142 160.0
[M]- 267.12984858 160.0
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

No patent data available for this compound.