CID 82241334

1-methyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid

Structural Information

Molecular Formula
C11H9NO3
SMILES
CN1C2=CC=CC=C2C(=O)C=C1C(=O)O
InChI
InChI=1S/C11H9NO3/c1-12-8-5-3-2-4-7(8)10(13)6-9(12)11(14)15/h2-6H,1H3,(H,14,15)
InChIKey
DZNNIRHFSWTOJH-UHFFFAOYSA-N
Compound name
1-methyl-4-oxoquinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

203.05824 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 139.0
[M+Na]+ 226.04746 149.5
[M-H]- 202.05096 141.8
[M+NH4]+ 221.09206 157.6
[M+K]+ 242.02140 146.3
[M+H-H2O]+ 186.05550 132.7
[M+HCOO]- 248.05644 160.0
[M+CH3COO]- 262.07209 183.8
[M+Na-2H]- 224.03291 145.8
[M]+ 203.05769 140.6
[M]- 203.05879 140.6
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