CID 4142226

Cyano-quinolin-2-yl-acetic acid ethyl ester

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CCOC(=O)C(C#N)C1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C14H12N2O2/c1-2-18-14(17)11(9-15)13-8-7-10-5-3-4-6-12(10)16-13/h3-8,11H,2H2,1H3
InChIKey
ZRSWXKLCOLZXRC-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-2-quinolin-2-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.08987 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 155.9
[M+Na]+ 263.07909 165.3
[M-H]- 239.08259 157.8
[M+NH4]+ 258.12369 171.0
[M+K]+ 279.05303 160.5
[M+H-H2O]+ 223.08713 141.8
[M+HCOO]- 285.08807 172.4
[M+CH3COO]- 299.10372 204.0
[M+Na-2H]- 261.06454 160.8
[M]+ 240.08932 152.4
[M]- 240.09042 152.4
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.