CID 71756284

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

219.12593 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 150.5
[M+Na]+ 242.115148 155.4
[M-H]- 218.118654 152.5
[M+NH4]+ 237.159753 165.9
[M+K]+ 258.089088 151.5
[M+H-H2O]+ 202.123190 143.3
[M+HCOO]- 264.124131 166.2
[M+CH3COO]- 278.139781 184.0
[M+Na-2H]- 240.100596 152.6
[M]+ 219.12538142 144.1
[M]- 219.12647858 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

patents stripe