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]+ 268.13658 160.6
[M+Na]+ 290.11852 167.0
[M-H]- 266.12202 165.3
[M+NH4]+ 285.16312 178.0
[M+K]+ 306.09246 163.5
[M+H-H2O]+ 250.12656 153.7
[M+HCOO]- 312.12750 173.6
[M+CH3COO]- 326.14315 193.0
[M+Na-2H]- 288.10397 164.2
[M]+ 267.12875 160.0
[M]- 267.12985 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.