CID 3048580

Nu-1109

Structural Information

Molecular Formula
C18H33NO2
SMILES
CCCCN1CCC(CC1)(C2CCCCC2)OC(=O)CC
InChI
InChI=1S/C18H33NO2/c1-3-5-13-19-14-11-18(12-15-19,21-17(20)4-2)16-9-7-6-8-10-16/h16H,3-15H2,1-2H3
InChIKey
SPOSPEPXIPKRSS-UHFFFAOYSA-N
Compound name
(1-butyl-4-cyclohexylpiperidin-4-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.25113 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.25841 177.2
[M+Na]+ 318.24035 177.7
[M-H]- 294.24385 179.8
[M+NH4]+ 313.28495 192.4
[M+K]+ 334.21429 175.4
[M+H-H2O]+ 278.24839 168.8
[M+HCOO]- 340.24933 189.8
[M+CH3COO]- 354.26498 202.9
[M+Na-2H]- 316.22580 176.2
[M]+ 295.25058 171.7
[M]- 295.25168 171.7
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.