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

literature stripe

Patent stripe

patents stripe