CID 3019307

Propyl 4-phenylpiperidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCCOC(=O)C1(CCNCC1)C2=CC=CC=C2
InChI
InChI=1S/C15H21NO2/c1-2-12-18-14(17)15(8-10-16-11-9-15)13-6-4-3-5-7-13/h3-7,16H,2,8-12H2,1H3
InChIKey
UGQSPUCEBMVHDO-UHFFFAOYSA-N
Compound name
propyl 4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

247.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 160.2
[M+Na]+ 270.146448 163.8
[M-H]- 246.149954 162.8
[M+NH4]+ 265.191053 176.6
[M+K]+ 286.120388 160.5
[M+H-H2O]+ 230.154490 152.3
[M+HCOO]- 292.155431 176.8
[M+CH3COO]- 306.171081 189.0
[M+Na-2H]- 268.131896 164.1
[M]+ 247.15668142 155.7
[M]- 247.15777858 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe