CID 230593

2-(piperidin-1-yl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C15H16N2O2
SMILES
C1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C(=O)O
InChI
InChI=1S/C15H16N2O2/c18-15(19)12-10-14(17-8-4-1-5-9-17)16-13-7-3-2-6-11(12)13/h2-3,6-7,10H,1,4-5,8-9H2,(H,18,19)
InChIKey
QAZQTQYHAUPALD-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

17
Patents

256.1212 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 158.5
[M+Na]+ 279.11042 164.1
[M-H]- 255.11392 161.1
[M+NH4]+ 274.15502 172.3
[M+K]+ 295.08436 159.6
[M+H-H2O]+ 239.11846 149.2
[M+HCOO]- 301.11940 173.3
[M+CH3COO]- 315.13505 168.4
[M+Na-2H]- 277.09587 163.1
[M]+ 256.12065 153.7
[M]- 256.12175 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe