CID 214232

Propiophenone, 4'-methylsulfonyl-3-piperidino-, hydrochloride

Structural Information

Molecular Formula
C15H21NO3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C(=O)CCN2CCCCC2
InChI
InChI=1S/C15H21NO3S/c1-20(18,19)14-7-5-13(6-8-14)15(17)9-12-16-10-3-2-4-11-16/h5-8H,2-4,9-12H2,1H3
InChIKey
HBUCAWKUJYFWFS-UHFFFAOYSA-N
Compound name
1-(4-methylsulfonylphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.1242 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13148 167.4
[M+Na]+ 318.11342 172.3
[M-H]- 294.11692 171.7
[M+NH4]+ 313.15802 181.3
[M+K]+ 334.08736 168.5
[M+H-H2O]+ 278.12146 159.7
[M+HCOO]- 340.12240 179.4
[M+CH3COO]- 354.13805 198.5
[M+Na-2H]- 316.09887 168.4
[M]+ 295.12365 166.9
[M]- 295.12475 166.9
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

No patent data available for this compound.