CID 6481996

8-hydroxy-5-quinolinebutanoic acid

Structural Information

Molecular Formula
C13H13NO3
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)CCCC(=O)O
InChI
InChI=1S/C13H13NO3/c15-11-7-6-9(3-1-5-12(16)17)10-4-2-8-14-13(10)11/h2,4,6-8,15H,1,3,5H2,(H,16,17)
InChIKey
QEBGLHSIPZEVHF-UHFFFAOYSA-N
Compound name
4-(8-hydroxyquinolin-5-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.08954 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 150.1
[M+Na]+ 254.07876 158.1
[M-H]- 230.08226 150.7
[M+NH4]+ 249.12336 166.5
[M+K]+ 270.05270 154.1
[M+H-H2O]+ 214.08680 143.4
[M+HCOO]- 276.08774 168.7
[M+CH3COO]- 290.10339 186.9
[M+Na-2H]- 252.06421 156.0
[M]+ 231.08899 150.8
[M]- 231.09009 150.8
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

No patent data available for this compound.