CID 589276

85870-47-9

Structural Information

Molecular Formula
C12H11NO3
SMILES
CCOC(=O)C1=CC2=CC=CC=C2NC1=O
InChI
InChI=1S/C12H11NO3/c1-2-16-12(15)9-7-8-5-3-4-6-10(8)13-11(9)14/h3-7H,2H2,1H3,(H,13,14)
InChIKey
POZIHPKRJFLANV-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

178
Patents

217.0739 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 145.3
[M+Na]+ 240.06312 159.0
[M+NH4]+ 235.10772 152.8
[M+K]+ 256.03706 152.8
[M-H]- 216.06662 146.3
[M+Na-2H]- 238.04857 151.4
[M]+ 217.07335 147.4
[M]- 217.07445 147.4
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