CID 3052727

69226-68-2

Structural Information

Molecular Formula
C15H29NO2S
SMILES
CCCC(C(=O)OCCN1CCCCC1)SCCC
InChI
InChI=1S/C15H29NO2S/c1-3-8-14(19-13-4-2)15(17)18-12-11-16-9-6-5-7-10-16/h14H,3-13H2,1-2H3
InChIKey
CZVLFJFKRSGJFF-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 2-propylsulfanylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1919 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.19918 171.0
[M+Na]+ 310.18112 178.5
[M+NH4]+ 305.22572 177.8
[M+K]+ 326.15506 170.5
[M-H]- 286.18462 171.2
[M+Na-2H]- 308.16657 172.6
[M]+ 287.19135 172.3
[M]- 287.19245 172.3
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.