CID 215575

35859-24-6

Structural Information

Molecular Formula
C15H21NO2S
SMILES
C1CCN(CC1)CCOC(=O)CSC2=CC=CC=C2
InChI
InChI=1S/C15H21NO2S/c17-15(13-19-14-7-3-1-4-8-14)18-12-11-16-9-5-2-6-10-16/h1,3-4,7-8H,2,5-6,9-13H2
InChIKey
DBGVMSKUMPFMJZ-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 2-phenylsulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1293 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.136576 164.9
[M+Na]+ 302.118518 168.2
[M-H]- 278.122024 168.6
[M+NH4]+ 297.163123 179.4
[M+K]+ 318.092458 164.7
[M+H-H2O]+ 262.126560 156.5
[M+HCOO]- 324.127501 178.0
[M+CH3COO]- 338.143151 195.8
[M+Na-2H]- 300.103966 165.5
[M]+ 279.12875142 164.3
[M]- 279.12984858 164.3
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.