CID 24730240

6-(4-methoxyphenyl)piperidine-2-carboxylic acid

Structural Information

Molecular Formula
C13H17NO3
SMILES
COC1=CC=C(C=C1)C2CCCC(N2)C(=O)O
InChI
InChI=1S/C13H17NO3/c1-17-10-7-5-9(6-8-10)11-3-2-4-12(14-11)13(15)16/h5-8,11-12,14H,2-4H2,1H3,(H,15,16)
InChIKey
KJIZGZIKJZRTFH-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12085 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.128126 153.4
[M+Na]+ 258.110068 158.2
[M-H]- 234.113574 155.4
[M+NH4]+ 253.154673 168.0
[M+K]+ 274.084008 154.8
[M+H-H2O]+ 218.118110 145.9
[M+HCOO]- 280.119051 169.3
[M+CH3COO]- 294.134701 186.2
[M+Na-2H]- 256.095516 155.5
[M]+ 235.12030142 148.4
[M]- 235.12139858 148.4
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.