CID 215591

2-(1-piperidinyl)ethyl ((4-chlorophenyl)thio)acetate hydrochloride

Structural Information

Molecular Formula
C15H20ClNO2S
SMILES
C1CCN(CC1)CCOC(=O)CSC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H20ClNO2S/c16-13-4-6-14(7-5-13)20-12-15(18)19-11-10-17-8-2-1-3-9-17/h4-7H,1-3,8-12H2
InChIKey
JWGTUFSUJDHQBY-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 2-(4-chlorophenyl)sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.09033 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.09761 169.9
[M+Na]+ 336.07955 174.7
[M-H]- 312.08305 173.9
[M+NH4]+ 331.12415 184.2
[M+K]+ 352.05349 169.7
[M+H-H2O]+ 296.08759 162.4
[M+HCOO]- 358.08853 178.4
[M+CH3COO]- 372.10418 200.5
[M+Na-2H]- 334.06500 169.5
[M]+ 313.08978 171.7
[M]- 313.09088 171.7
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.