CID 466915

Allyl 2-cyano-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C14H12N2O2
SMILES
C=CCOC(=O)N1C(C=CC2=CC=CC=C21)C#N
InChI
InChI=1S/C14H12N2O2/c1-2-9-18-14(17)16-12(10-15)8-7-11-5-3-4-6-13(11)16/h2-8,12H,1,9H2
InChIKey
TXLJHBAVQFGJJH-UHFFFAOYSA-N
Compound name
prop-2-enyl 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

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.097146 155.0
[M+Na]+ 263.079088 165.0
[M-H]- 239.082594 157.0
[M+NH4]+ 258.123693 170.4
[M+K]+ 279.053028 159.4
[M+H-H2O]+ 223.087130 141.2
[M+HCOO]- 285.088071 171.4
[M+CH3COO]- 299.103721 203.3
[M+Na-2H]- 261.064536 159.5
[M]+ 240.08932142 150.5
[M]- 240.09041858 150.5
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.