CID 48941

Brn 0238585

Structural Information

Molecular Formula
C17H25NO2S
SMILES
CCCSC1=CC=CC(=C1)C(=O)OCCN2CCCCC2
InChI
InChI=1S/C17H25NO2S/c1-2-13-21-16-8-6-7-15(14-16)17(19)20-12-11-18-9-4-3-5-10-18/h6-8,14H,2-5,9-13H2,1H3
InChIKey
PEHIRBVKWKSOOU-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 3-propylsulfanylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1606 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16788 173.1
[M+Na]+ 330.14982 184.0
[M+NH4]+ 325.19442 181.0
[M+K]+ 346.12376 174.4
[M-H]- 306.15332 176.4
[M+Na-2H]- 328.13527 178.7
[M]+ 307.16005 175.9
[M]- 307.16115 175.9
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.