CID 718163

1,6-dimethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C12H11NO3
SMILES
CC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)O)C
InChI
InChI=1S/C12H11NO3/c1-7-3-4-10-8(5-7)11(14)9(12(15)16)6-13(10)2/h3-6H,1-2H3,(H,15,16)
InChIKey
BRENAYCUDGIHED-UHFFFAOYSA-N
Compound name
1,6-dimethyl-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

71
Patents

217.0739 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 143.3
[M+Na]+ 240.06312 154.2
[M-H]- 216.06662 146.3
[M+NH4]+ 235.10772 161.6
[M+K]+ 256.03706 150.9
[M+H-H2O]+ 200.07116 137.1
[M+HCOO]- 262.07210 163.9
[M+CH3COO]- 276.08775 188.1
[M+Na-2H]- 238.04857 148.8
[M]+ 217.07335 145.6
[M]- 217.07445 145.6
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