CID 96576

1-benzyl-4-phenylpiperidine-4-carboxylic acid

Structural Information

Molecular Formula
C19H21NO2
SMILES
C1CN(CCC1(C2=CC=CC=C2)C(=O)O)CC3=CC=CC=C3
InChI
InChI=1S/C19H21NO2/c21-18(22)19(17-9-5-2-6-10-17)11-13-20(14-12-19)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H,21,22)
InChIKey
RYTBNRKHWAWLPQ-UHFFFAOYSA-N
Compound name
1-benzyl-4-phenylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

295.15723 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.164506 171.7
[M+Na]+ 318.146448 175.7
[M-H]- 294.149954 177.6
[M+NH4]+ 313.191053 185.7
[M+K]+ 334.120388 170.9
[M+H-H2O]+ 278.154490 162.1
[M+HCOO]- 340.155431 188.2
[M+CH3COO]- 354.171081 181.0
[M+Na-2H]- 316.131896 175.1
[M]+ 295.15668142 166.3
[M]- 295.15777858 166.3
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

patents stripe