CID 214230

4'-methylsulfinyl-3-piperidinopropiophenone hydrochloride

Structural Information

Molecular Formula
C15H21NO2S
SMILES
CS(=O)C1=CC=C(C=C1)C(=O)CCN2CCCCC2
InChI
InChI=1S/C15H21NO2S/c1-19(18)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
ITGRANRGPGDJEL-UHFFFAOYSA-N
Compound name
1-(4-methylsulfinylphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1293 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13658 164.1
[M+Na]+ 302.11852 168.1
[M-H]- 278.12202 168.2
[M+NH4]+ 297.16312 178.6
[M+K]+ 318.09246 164.5
[M+H-H2O]+ 262.12656 156.0
[M+HCOO]- 324.12750 176.2
[M+CH3COO]- 338.14315 197.7
[M+Na-2H]- 300.10397 162.9
[M]+ 279.12875 162.6
[M]- 279.12985 162.6
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.