CID 65809361

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

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC1=CC=C(C=C1)C2(CCNCC2)C(=O)O
InChI
InChI=1S/C13H17NO2/c1-10-2-4-11(5-3-10)13(12(15)16)6-8-14-9-7-13/h2-5,14H,6-9H2,1H3,(H,15,16)
InChIKey
GWBSAIUOXVSNCO-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

219.12593 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 151.2
[M+Na]+ 242.11515 156.1
[M-H]- 218.11865 153.2
[M+NH4]+ 237.15975 168.3
[M+K]+ 258.08909 152.5
[M+H-H2O]+ 202.12319 144.4
[M+HCOO]- 264.12413 166.9
[M+CH3COO]- 278.13978 182.4
[M+Na-2H]- 240.10060 155.0
[M]+ 219.12538 144.7
[M]- 219.12648 144.7
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