CID 12208585

8-methoxy-3-methyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid

Structural Information

Molecular Formula
C12H11NO4
SMILES
CC1=C(NC2=C(C1=O)C=CC=C2OC)C(=O)O
InChI
InChI=1S/C12H11NO4/c1-6-9(12(15)16)13-10-7(11(6)14)4-3-5-8(10)17-2/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKey
ZGNHIJVIWMQWPG-UHFFFAOYSA-N
Compound name
8-methoxy-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.0688 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07608 147.1
[M+Na]+ 256.05802 157.4
[M-H]- 232.06152 148.7
[M+NH4]+ 251.10262 163.9
[M+K]+ 272.03196 153.8
[M+H-H2O]+ 216.06606 140.8
[M+HCOO]- 278.06700 166.3
[M+CH3COO]- 292.08265 187.9
[M+Na-2H]- 254.04347 152.1
[M]+ 233.06825 149.0
[M]- 233.06935 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe