CID 3056787

Propiophenone, 4'-(methylthio)-3-piperidino-, hydrochloride

Structural Information

Molecular Formula
C15H21NOS
SMILES
CSC1=CC=C(C=C1)C(=O)CCN2CCCCC2
InChI
InChI=1S/C15H21NOS/c1-18-14-7-5-13(6-8-14)15(17)9-12-16-10-3-2-4-11-16/h5-8H,2-4,9-12H2,1H3
InChIKey
GTQLVDLENVAMMS-UHFFFAOYSA-N
Compound name
1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1344 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.141676 161.1
[M+Na]+ 286.123618 165.4
[M-H]- 262.127124 165.1
[M+NH4]+ 281.168223 176.5
[M+K]+ 302.097558 161.3
[M+H-H2O]+ 246.131660 153.0
[M+HCOO]- 308.132601 173.9
[M+CH3COO]- 322.148251 195.5
[M+Na-2H]- 284.109066 160.9
[M]+ 263.13385142 159.5
[M]- 263.13494858 159.5
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.