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 142.8
[M+Na]+ 281.97362 155.2
[M-H]- 257.97712 148.2
[M+NH4]+ 277.01822 162.4
[M+K]+ 297.94756 145.0
[M+H-H2O]+ 241.98166 142.2
[M+HCOO]- 303.98260 163.7
[M+CH3COO]- 317.99825 190.8
[M+Na-2H]- 279.95907 149.7
[M]+ 258.98385 164.6
[M]- 258.98495 164.6
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