CID 466909

Isobutyl 2-cyano-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CC(C)COC(=O)N1C(C=CC2=CC=CC=C21)C#N
InChI
InChI=1S/C15H16N2O2/c1-11(2)10-19-15(18)17-13(9-16)8-7-12-5-3-4-6-14(12)17/h3-8,11,13H,10H2,1-2H3
InChIKey
FDMOYURVQVUXEH-UHFFFAOYSA-N
Compound name
2-methylpropyl 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

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 160.0
[M+Na]+ 279.11042 169.1
[M-H]- 255.11392 161.9
[M+NH4]+ 274.15502 174.9
[M+K]+ 295.08436 164.4
[M+H-H2O]+ 239.11846 146.2
[M+HCOO]- 301.11940 175.1
[M+CH3COO]- 315.13505 207.5
[M+Na-2H]- 277.09587 163.0
[M]+ 256.12065 155.9
[M]- 256.12175 155.9
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.