CID 200339

4-piperidinocyclohexyl propionate

Structural Information

Molecular Formula
C14H25NO2
SMILES
CCC(=O)OC1CCC(CC1)N2CCCCC2
InChI
InChI=1S/C14H25NO2/c1-2-14(16)17-13-8-6-12(7-9-13)15-10-4-3-5-11-15/h12-13H,2-11H2,1H3
InChIKey
KFECPCWZCXLLLD-UHFFFAOYSA-N
Compound name
(4-piperidin-1-ylcyclohexyl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.18852 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.19580 159.8
[M+Na]+ 262.17774 161.0
[M-H]- 238.18124 162.7
[M+NH4]+ 257.22234 175.2
[M+K]+ 278.15168 159.3
[M+H-H2O]+ 222.18578 151.4
[M+HCOO]- 284.18672 173.7
[M+CH3COO]- 298.20237 191.4
[M+Na-2H]- 260.16319 159.7
[M]+ 239.18797 152.5
[M]- 239.18907 152.5
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.