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]+ 245.09208 154.4
[M+Na]+ 267.07402 164.8
[M-H]- 243.07752 155.8
[M+NH4]+ 262.11862 169.4
[M+K]+ 283.04796 160.2
[M+H-H2O]+ 227.08206 141.3
[M+HCOO]- 289.08300 169.9
[M+CH3COO]- 303.09865 202.1
[M+Na-2H]- 265.05947 158.5
[M]+ 244.08425 150.3
[M]- 244.08535 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.