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]+ 280.13658 164.9
[M+Na]+ 302.11852 168.2
[M-H]- 278.12202 168.6
[M+NH4]+ 297.16312 179.4
[M+K]+ 318.09246 164.7
[M+H-H2O]+ 262.12656 156.5
[M+HCOO]- 324.12750 178.0
[M+CH3COO]- 338.14315 195.8
[M+Na-2H]- 300.10397 165.5
[M]+ 279.12875 164.3
[M]- 279.12985 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.