CID 2736461

Ethyl 3-oxo-3-(pyridin-2-yl)propanoate

Structural Information

Molecular Formula
C10H11NO3
SMILES
CCOC(=O)CC(=O)C1=CC=CC=N1
InChI
InChI=1S/C10H11NO3/c1-2-14-10(13)7-9(12)8-5-3-4-6-11-8/h3-6H,2,7H2,1H3
InChIKey
FQHXWZMJALFSJJ-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-3-pyridin-2-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

320
Patents

193.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 140.3
[M+Na]+ 216.063118 147.3
[M-H]- 192.066624 142.4
[M+NH4]+ 211.107723 158.1
[M+K]+ 232.037058 146.4
[M+H-H2O]+ 176.071160 133.3
[M+HCOO]- 238.072101 162.3
[M+CH3COO]- 252.087751 182.3
[M+Na-2H]- 214.048566 145.6
[M]+ 193.07335142 142.6
[M]- 193.07444858 142.6
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

patents stripe