CID 28834261

Ethyl 2-(5-bromo-2-oxo-1,2-dihydropyridin-1-yl)acetate

Structural Information

Molecular Formula
C9H10BrNO3
SMILES
CCOC(=O)CN1C=C(C=CC1=O)Br
InChI
InChI=1S/C9H10BrNO3/c1-2-14-9(13)6-11-5-7(10)3-4-8(11)12/h3-5H,2,6H2,1H3
InChIKey
PRUOYBJSVQRNCS-UHFFFAOYSA-N
Compound name
ethyl 2-(5-bromo-2-oxopyridin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

258.9844 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.99168 145.2
[M+Na]+ 281.97362 148.4
[M+NH4]+ 277.01822 148.5
[M+K]+ 297.94756 149.2
[M-H]- 257.97712 144.2
[M+Na-2H]- 279.95907 147.8
[M]+ 258.98385 144.0
[M]- 258.98495 144.0
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

patents stripe