CID 47002247

1-(8-hydroxyquinolin-2-yl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C15H16N2O3
SMILES
C1CN(CCC1C(=O)O)C2=NC3=C(C=CC=C3O)C=C2
InChI
InChI=1S/C15H16N2O3/c18-12-3-1-2-10-4-5-13(16-14(10)12)17-8-6-11(7-9-17)15(19)20/h1-5,11,18H,6-9H2,(H,19,20)
InChIKey
UHVMPHOVDYKWDK-UHFFFAOYSA-N
Compound name
1-(8-hydroxyquinolin-2-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1161 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 161.9
[M+Na]+ 295.105318 168.0
[M-H]- 271.108824 163.6
[M+NH4]+ 290.149923 174.6
[M+K]+ 311.079258 163.3
[M+H-H2O]+ 255.113360 153.2
[M+HCOO]- 317.114301 175.4
[M+CH3COO]- 331.129951 171.4
[M+Na-2H]- 293.090766 165.5
[M]+ 272.11555142 157.3
[M]- 272.11664858 157.3
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.