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]+ 241.097146 155.9
[M+Na]+ 263.079088 165.7
[M-H]- 239.082594 158.1
[M+NH4]+ 258.123693 171.3
[M+K]+ 279.053028 160.6
[M+H-H2O]+ 223.087130 142.3
[M+HCOO]- 285.088071 171.4
[M+CH3COO]- 299.103721 204.0
[M+Na-2H]- 261.064536 159.3
[M]+ 240.08932142 150.9
[M]- 240.09041858 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.