CID 243736

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

Structural Information

Molecular Formula
C11H9NO3
SMILES
CC1=C(C2=CC=CC=C2NC1=O)C(=O)O
InChI
InChI=1S/C11H9NO3/c1-6-9(11(14)15)7-4-2-3-5-8(7)12-10(6)13/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKey
WPRPBCUZWXWVLY-UHFFFAOYSA-N
Compound name
3-methyl-2-oxo-1H-quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

203.05824 Da
Monoisotopic Mass

1.0
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

No literature data available for this compound.

Patent stripe

patents stripe