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 138.1
[M+Na]+ 267.95799 151.0
[M-H]- 243.96149 143.7
[M+NH4]+ 263.00259 158.2
[M+K]+ 283.93193 140.9
[M+H-H2O]+ 227.96603 137.8
[M+HCOO]- 289.96697 159.3
[M+CH3COO]- 303.98262 188.0
[M+Na-2H]- 265.94344 145.5
[M]+ 244.96822 159.6
[M]- 244.96932 159.6
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