CID 68875363

5-phenylpiperidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1C(CNCC1C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C12H15NO2/c14-12(15)11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2,(H,14,15)
InChIKey
XORGFPVZKXBBJZ-UHFFFAOYSA-N
Compound name
5-phenylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

205.11028 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 146.2
[M+Na]+ 228.099498 150.5
[M-H]- 204.103004 147.9
[M+NH4]+ 223.144103 161.8
[M+K]+ 244.073438 146.8
[M+H-H2O]+ 188.107540 138.9
[M+HCOO]- 250.108481 162.2
[M+CH3COO]- 264.124131 179.8
[M+Na-2H]- 226.084946 149.5
[M]+ 205.10973142 138.9
[M]- 205.11082858 138.9
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