CID 200340

4-piperidinocyclohexyl valerate

Structural Information

Molecular Formula
C16H29NO2
SMILES
CCCCC(=O)OC1CCC(CC1)N2CCCCC2
InChI
InChI=1S/C16H29NO2/c1-2-3-7-16(18)19-15-10-8-14(9-11-15)17-12-5-4-6-13-17/h14-15H,2-13H2,1H3
InChIKey
BELYKPLCHUFRRA-UHFFFAOYSA-N
Compound name
(4-piperidin-1-ylcyclohexyl) pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.21982 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.22710 168.8
[M+Na]+ 290.20904 177.7
[M+NH4]+ 285.25364 176.4
[M+K]+ 306.18298 170.8
[M-H]- 266.21254 171.5
[M+Na-2H]- 288.19449 172.5
[M]+ 267.21927 170.5
[M]- 267.22037 170.5
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.