CID 257714

4-hydroxy-7-methoxyquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C11H9NO4
SMILES
COC1=CC2=C(C=C1)C(=O)C(=CN2)C(=O)O
InChI
InChI=1S/C11H9NO4/c1-16-6-2-3-7-9(4-6)12-5-8(10(7)13)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKey
QROPNBKULZRDMD-UHFFFAOYSA-N
Compound name
7-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

94
Patents

219.05316 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06044 142.6
[M+Na]+ 242.04238 152.5
[M-H]- 218.04588 144.0
[M+NH4]+ 237.08698 159.7
[M+K]+ 258.01632 149.1
[M+H-H2O]+ 202.05042 136.4
[M+HCOO]- 264.05136 162.3
[M+CH3COO]- 278.06701 183.6
[M+Na-2H]- 240.02783 149.0
[M]+ 219.05261 143.8
[M]- 219.05371 143.8
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