CID 28834261

663195-13-9

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-oxo-1-pyridinyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

258.9844 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.991676 142.8
[M+Na]+ 281.973618 155.2
[M-H]- 257.977124 148.2
[M+NH4]+ 277.018223 162.4
[M+K]+ 297.947558 145.0
[M+H-H2O]+ 241.981660 142.2
[M+HCOO]- 303.982601 163.7
[M+CH3COO]- 317.998251 190.8
[M+Na-2H]- 279.959066 149.7
[M]+ 258.98385142 164.6
[M]- 258.98494858 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