CID 58975472

Ethyl 3-(3-methylpyridin-2-yl)-3-oxopropanoate

Structural Information

Molecular Formula
C11H13NO3
SMILES
CCOC(=O)CC(=O)C1=C(C=CC=N1)C
InChI
InChI=1S/C11H13NO3/c1-3-15-10(14)7-9(13)11-8(2)5-4-6-12-11/h4-6H,3,7H2,1-2H3
InChIKey
OXBRTZCSNVTDJQ-UHFFFAOYSA-N
Compound name
ethyl 3-(3-methyl-2-pyridinyl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

207.08954 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 144.1
[M+Na]+ 230.078758 151.7
[M-H]- 206.082264 146.5
[M+NH4]+ 225.123363 161.7
[M+K]+ 246.052698 150.5
[M+H-H2O]+ 190.086800 137.3
[M+HCOO]- 252.087741 165.9
[M+CH3COO]- 266.103391 186.5
[M+Na-2H]- 228.064206 148.3
[M]+ 207.08899142 147.3
[M]- 207.09008858 147.3
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

patents stripe