CID 280090

17954-23-3

Structural Information

Molecular Formula
C13H12N2O2
SMILES
CCOC(=O)N1C(C=CC2=CC=CC=C21)C#N
InChI
InChI=1S/C13H12N2O2/c1-2-17-13(16)15-11(9-14)8-7-10-5-3-4-6-12(10)15/h3-8,11H,2H2,1H3
InChIKey
QFAHEDSFVHOFGW-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

228.08987 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 150.9
[M+Na]+ 251.07909 161.1
[M-H]- 227.08259 153.2
[M+NH4]+ 246.12369 167.0
[M+K]+ 267.05303 156.4
[M+H-H2O]+ 211.08713 137.4
[M+HCOO]- 273.08807 167.6
[M+CH3COO]- 287.10372 201.3
[M+Na-2H]- 249.06454 156.1
[M]+ 228.08932 146.8
[M]- 228.09042 146.8
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.