CID 466912

Isopropenyl 2-cyano-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CC(=C)OC(=O)N1C(C=CC2=CC=CC=C21)C#N
InChI
InChI=1S/C14H12N2O2/c1-10(2)18-14(17)16-12(9-15)8-7-11-5-3-4-6-13(11)16/h3-8,12H,1H2,2H3
InChIKey
BDWNZOPDIVXXAG-UHFFFAOYSA-N
Compound name
prop-1-en-2-yl 2-cyano-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

240.08987 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 155.9
[M+Na]+ 263.07909 165.7
[M-H]- 239.08259 158.1
[M+NH4]+ 258.12369 171.3
[M+K]+ 279.05303 160.6
[M+H-H2O]+ 223.08713 142.3
[M+HCOO]- 285.08807 171.4
[M+CH3COO]- 299.10372 204.0
[M+Na-2H]- 261.06454 159.3
[M]+ 240.08932 150.9
[M]- 240.09042 150.9
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.