CID 19735227

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

Structural Information

Molecular Formula
C11H9NO3
SMILES
CC1=CC2=C(C=C1)NC(=CC2=O)C(=O)O
InChI
InChI=1S/C11H9NO3/c1-6-2-3-8-7(4-6)10(13)5-9(12-8)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKey
YZLHMOMDUOBOBJ-UHFFFAOYSA-N
Compound name
6-methyl-4-oxo-1H-quinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

203.05824 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 139.8
[M+Na]+ 226.047458 149.8
[M-H]- 202.050964 141.2
[M+NH4]+ 221.092063 157.6
[M+K]+ 242.021398 145.7
[M+H-H2O]+ 186.055500 133.8
[M+HCOO]- 248.056441 159.2
[M+CH3COO]- 262.072091 181.4
[M+Na-2H]- 224.032906 146.0
[M]+ 203.05769142 139.5
[M]- 203.05878858 139.5
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