CID 2836084

6687-86-1

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CCOC(=O)/C(=C/N1CCCC2=CC=CC=C21)/C#N
InChI
InChI=1S/C15H16N2O2/c1-2-19-15(18)13(10-16)11-17-9-5-7-12-6-3-4-8-14(12)17/h3-4,6,8,11H,2,5,7,9H2,1H3/b13-11+
InChIKey
CQQPOEPVLMKPHG-ACCUITESSA-N
Compound name
ethyl (E)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

256.1212 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 163.2
[M+Na]+ 279.11042 173.9
[M+NH4]+ 274.15502 166.9
[M+K]+ 295.08436 164.2
[M-H]- 255.11392 156.8
[M+Na-2H]- 277.09587 164.6
[M]+ 256.12065 161.9
[M]- 256.12175 161.9
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.