CID 71756280

5-(4-methylphenyl)piperidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC1=CC=C(C=C1)C2CC(CNC2)C(=O)O
InChI
InChI=1S/C13H17NO2/c1-9-2-4-10(5-3-9)11-6-12(13(15)16)8-14-7-11/h2-5,11-12,14H,6-8H2,1H3,(H,15,16)
InChIKey
SGEXGOHIRXHOLR-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 150.5
[M+Na]+ 242.11515 155.4
[M-H]- 218.11865 152.5
[M+NH4]+ 237.15975 165.9
[M+K]+ 258.08909 151.5
[M+H-H2O]+ 202.12319 143.3
[M+HCOO]- 264.12413 166.2
[M+CH3COO]- 278.13978 184.0
[M+Na-2H]- 240.10060 152.6
[M]+ 219.12538 144.1
[M]- 219.12648 144.1
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.