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 171.9
[M+Na]+ 310.18112 173.4
[M-H]- 286.18462 171.9
[M+NH4]+ 305.22572 186.4
[M+K]+ 326.15506 171.1
[M+H-H2O]+ 270.18916 164.2
[M+HCOO]- 332.19010 182.2
[M+CH3COO]- 346.20575 200.9
[M+Na-2H]- 308.16657 168.7
[M]+ 287.19135 173.3
[M]- 287.19245 173.3
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.