CID 6481994

3-(8-hydroxyquinolin-5-yl)propanoic acid

Structural Information

Molecular Formula
C12H11NO3
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)CCC(=O)O
InChI
InChI=1S/C12H11NO3/c14-10-5-3-8(4-6-11(15)16)9-2-1-7-13-12(9)10/h1-3,5,7,14H,4,6H2,(H,15,16)
InChIKey
WPAQHRDBFJMQSG-UHFFFAOYSA-N
Compound name
3-(8-hydroxyquinolin-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

217.0739 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 145.5
[M+Na]+ 240.06312 153.9
[M-H]- 216.06662 146.3
[M+NH4]+ 235.10772 162.5
[M+K]+ 256.03706 150.1
[M+H-H2O]+ 200.07116 139.0
[M+HCOO]- 262.07210 164.4
[M+CH3COO]- 276.08775 183.8
[M+Na-2H]- 238.04857 151.9
[M]+ 217.07335 145.8
[M]- 217.07445 145.8
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.