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]+ 241.09715 155.0
[M+Na]+ 263.07909 165.0
[M-H]- 239.08259 157.0
[M+NH4]+ 258.12369 170.4
[M+K]+ 279.05303 159.4
[M+H-H2O]+ 223.08713 141.2
[M+HCOO]- 285.08807 171.4
[M+CH3COO]- 299.10372 203.3
[M+Na-2H]- 261.06454 159.5
[M]+ 240.08932 150.5
[M]- 240.09042 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.