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]+ 273.12338 161.9
[M+Na]+ 295.10532 168.0
[M-H]- 271.10882 163.6
[M+NH4]+ 290.14992 174.6
[M+K]+ 311.07926 163.3
[M+H-H2O]+ 255.11336 153.2
[M+HCOO]- 317.11430 175.4
[M+CH3COO]- 331.12995 171.4
[M+Na-2H]- 293.09077 165.5
[M]+ 272.11555 157.3
[M]- 272.11665 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.