CID 466906

Butyl 2-cyano-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CCCCOC(=O)N1C(C=CC2=CC=CC=C21)C#N
InChI
InChI=1S/C15H16N2O2/c1-2-3-10-19-15(18)17-13(11-16)9-8-12-6-4-5-7-14(12)17/h4-9,13H,2-3,10H2,1H3
InChIKey
WCEJUFNDOXPLAI-UHFFFAOYSA-N
Compound name
butyl 2-cyano-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

256.1212 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 159.0
[M+Na]+ 279.11042 168.3
[M-H]- 255.11392 160.8
[M+NH4]+ 274.15502 173.9
[M+K]+ 295.08436 163.1
[M+H-H2O]+ 239.11846 145.0
[M+HCOO]- 301.11940 175.0
[M+CH3COO]- 315.13505 206.7
[M+Na-2H]- 277.09587 163.1
[M]+ 256.12065 155.5
[M]- 256.12175 155.5
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.