CID 117627842

Methyl 2-(4-bromo-2-oxo-1,2-dihydropyridin-1-yl)acetate

Structural Information

Molecular Formula
C8H8BrNO3
SMILES
COC(=O)CN1C=CC(=CC1=O)Br
InChI
InChI=1S/C8H8BrNO3/c1-13-8(12)5-10-3-2-6(9)4-7(10)11/h2-4H,5H2,1H3
InChIKey
LEGCGTQFNGFSMV-UHFFFAOYSA-N
Compound name
methyl 2-(4-bromo-2-oxopyridin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

244.96877 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.97605 140.7
[M+Na]+ 267.95799 144.1
[M+NH4]+ 263.00259 144.2
[M+K]+ 283.93193 145.1
[M-H]- 243.96149 139.7
[M+Na-2H]- 265.94344 143.6
[M]+ 244.96822 139.5
[M]- 244.96932 139.5
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