CID 15222

4-piperidinocyclohexyl butyrate

Structural Information

Molecular Formula
C15H27NO2
SMILES
CCCC(=O)OC1CCC(CC1)N2CCCCC2
InChI
InChI=1S/C15H27NO2/c1-2-6-15(17)18-14-9-7-13(8-10-14)16-11-4-3-5-12-16/h13-14H,2-12H2,1H3
InChIKey
CIWYNCKUHLVFKX-UHFFFAOYSA-N
Compound name
(4-piperidin-1-ylcyclohexyl) butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.20418 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.21146 164.2
[M+Na]+ 276.19340 165.0
[M-H]- 252.19690 167.0
[M+NH4]+ 271.23800 179.0
[M+K]+ 292.16734 163.0
[M+H-H2O]+ 236.20144 155.7
[M+HCOO]- 298.20238 177.8
[M+CH3COO]- 312.21803 194.4
[M+Na-2H]- 274.17885 163.7
[M]+ 253.20363 157.3
[M]- 253.20473 157.3
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.