CID 466889

Ethyl 2-cyano-6-hydroxy-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C13H12N2O3
SMILES
CCOC(=O)N1C(C=CC2=C1C=CC(=C2)O)C#N
InChI
InChI=1S/C13H12N2O3/c1-2-18-13(17)15-10(8-14)4-3-9-7-11(16)5-6-12(9)15/h3-7,10,16H,2H2,1H3
InChIKey
JJEMHCRQADYDIX-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-6-hydroxy-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

244.0848 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.092076 154.4
[M+Na]+ 267.074018 164.8
[M-H]- 243.077524 155.8
[M+NH4]+ 262.118623 169.4
[M+K]+ 283.047958 160.2
[M+H-H2O]+ 227.082060 141.3
[M+HCOO]- 289.083001 169.9
[M+CH3COO]- 303.098651 202.1
[M+Na-2H]- 265.059466 158.5
[M]+ 244.08425142 150.3
[M]- 244.08534858 150.3
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

No patent data available for this compound.