CID 3002912

Ethyl 2-(quinolin-4-yl)acetate

Structural Information

Molecular Formula
C13H13NO2
SMILES
CCOC(=O)CC1=CC=NC2=CC=CC=C12
InChI
InChI=1S/C13H13NO2/c1-2-16-13(15)9-10-7-8-14-12-6-4-3-5-11(10)12/h3-8H,2,9H2,1H3
InChIKey
NAYCHRONYVXKHF-UHFFFAOYSA-N
Compound name
ethyl 2-quinolin-4-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

215.09464 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 146.6
[M+Na]+ 238.08386 154.7
[M-H]- 214.08736 149.7
[M+NH4]+ 233.12846 165.0
[M+K]+ 254.05780 151.8
[M+H-H2O]+ 198.09190 139.3
[M+HCOO]- 260.09284 168.1
[M+CH3COO]- 274.10849 187.9
[M+Na-2H]- 236.06931 154.1
[M]+ 215.09409 149.0
[M]- 215.09519 149.0
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.