CID 76230

2929-14-8

Structural Information

Molecular Formula
C11H9NO4
SMILES
COC1=CC=CC2=C1NC(=CC2=O)C(=O)O
InChI
InChI=1S/C11H9NO4/c1-16-9-4-2-3-6-8(13)5-7(11(14)15)12-10(6)9/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKey
BXZSKDOPGDPDEG-UHFFFAOYSA-N
Compound name
8-methoxy-4-oxo-1H-quinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

216
Patents

219.05316 Da
Monoisotopic Mass

1.3
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