CID 3048591

63916-34-7

Structural Information

Molecular Formula
C18H27NO2
SMILES
CCC(C)N1CCC(CC1)(C2=CC=CC=C2)OC(=O)CC
InChI
InChI=1S/C18H27NO2/c1-4-15(3)19-13-11-18(12-14-19,21-17(20)5-2)16-9-7-6-8-10-16/h6-10,15H,4-5,11-14H2,1-3H3
InChIKey
CWPAWMSBWYLNNB-UHFFFAOYSA-N
Compound name
(1-butan-2-yl-4-phenylpiperidin-4-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.2042 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 172.2
[M+Na]+ 312.19342 175.6
[M-H]- 288.19692 176.1
[M+NH4]+ 307.23802 187.9
[M+K]+ 328.16736 173.1
[M+H-H2O]+ 272.20146 164.0
[M+HCOO]- 334.20240 188.2
[M+CH3COO]- 348.21805 202.6
[M+Na-2H]- 310.17887 173.1
[M]+ 289.20365 170.4
[M]- 289.20475 170.4
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.