CID 70682886

2-(4-hydroxyquinolin-3-yl)acetic acid

Structural Information

Molecular Formula
C11H9NO3
SMILES
C1=CC=C2C(=C1)C(=O)C(=CN2)CC(=O)O
InChI
InChI=1S/C11H9NO3/c13-10(14)5-7-6-12-9-4-2-1-3-8(9)11(7)15/h1-4,6H,5H2,(H,12,15)(H,13,14)
InChIKey
YKPFHZMZCANZBT-UHFFFAOYSA-N
Compound name
2-(4-oxo-1H-quinolin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

203.05824 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 140.0
[M+Na]+ 226.047458 149.1
[M-H]- 202.050964 141.0
[M+NH4]+ 221.092063 157.5
[M+K]+ 242.021398 144.9
[M+H-H2O]+ 186.055500 133.7
[M+HCOO]- 248.056441 159.5
[M+CH3COO]- 262.072091 180.1
[M+Na-2H]- 224.032906 147.0
[M]+ 203.05769142 139.3
[M]- 203.05878858 139.3
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.