CID 6481997

57434-92-1

Structural Information

Molecular Formula
C11H9NO3
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)CC(=O)O
InChI
InChI=1S/C11H9NO3/c13-9-4-3-7(6-10(14)15)8-2-1-5-12-11(8)9/h1-5,13H,6H2,(H,14,15)
InChIKey
CJSVAYGVUXBHLS-UHFFFAOYSA-N
Compound name
2-(8-hydroxyquinolin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

203.05824 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 140.8
[M+Na]+ 226.047458 149.7
[M-H]- 202.050964 141.8
[M+NH4]+ 221.092063 158.4
[M+K]+ 242.021398 146.1
[M+H-H2O]+ 186.055500 134.5
[M+HCOO]- 248.056441 160.1
[M+CH3COO]- 262.072091 180.8
[M+Na-2H]- 224.032906 147.8
[M]+ 203.05769142 140.8
[M]- 203.05878858 140.8
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