CID 425075

1-cyclopropyl-4-phenyl-4-propionoxypiperidine hydrochloride

Structural Information

Molecular Formula
C17H23NO2
SMILES
CCC(=O)OC1(CCN(CC1)C2CC2)C3=CC=CC=C3
InChI
InChI=1S/C17H23NO2/c1-2-16(19)20-17(14-6-4-3-5-7-14)10-12-18(13-11-17)15-8-9-15/h3-7,15H,2,8-13H2,1H3
InChIKey
NOAUVFDQZXZJGF-UHFFFAOYSA-N
Compound name
(1-cyclopropyl-4-phenylpiperidin-4-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.180156 167.6
[M+Na]+ 296.162098 173.4
[M-H]- 272.165604 175.4
[M+NH4]+ 291.206703 179.1
[M+K]+ 312.136038 170.8
[M+H-H2O]+ 256.170140 159.2
[M+HCOO]- 318.171081 185.4
[M+CH3COO]- 332.186731 199.9
[M+Na-2H]- 294.147546 170.4
[M]+ 273.17233142 167.2
[M]- 273.17342858 167.2
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.