CID 22308845

Ethyl 3-(5-bromopyridin-2-yl)-3-oxopropanoate

Structural Information

Molecular Formula
C10H10BrNO3
SMILES
CCOC(=O)CC(=O)C1=NC=C(C=C1)Br
InChI
InChI=1S/C10H10BrNO3/c1-2-15-10(14)5-9(13)8-4-3-7(11)6-12-8/h3-4,6H,2,5H2,1H3
InChIKey
HECLHZAXCKFFTD-UHFFFAOYSA-N
Compound name
ethyl 3-(5-bromopyridin-2-yl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.9844 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.99168 148.1
[M+Na]+ 293.97362 159.0
[M-H]- 269.97712 153.1
[M+NH4]+ 289.01822 166.8
[M+K]+ 309.94756 149.0
[M+H-H2O]+ 253.98166 147.3
[M+HCOO]- 315.98260 167.7
[M+CH3COO]- 329.99825 193.2
[M+Na-2H]- 291.95907 153.9
[M]+ 270.98385 169.3
[M]- 270.98495 169.3
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

No patent data available for this compound.