CID 165979355

Methyl 2-(5-bromo-2-methoxypyridin-3-yl)-2-hydroxyacetate

Structural Information

Molecular Formula
C9H10BrNO4
SMILES
COC1=C(C=C(C=N1)Br)C(C(=O)OC)O
InChI
InChI=1S/C9H10BrNO4/c1-14-8-6(3-5(10)4-11-8)7(12)9(13)15-2/h3-4,7,12H,1-2H3
InChIKey
QRJCFBFKKSFXLE-UHFFFAOYSA-N
Compound name
methyl 2-(5-bromo-2-methoxy-3-pyridinyl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.9793 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.986576 147.7
[M+Na]+ 297.968518 158.8
[M-H]- 273.972024 151.7
[M+NH4]+ 293.013123 165.7
[M+K]+ 313.942458 149.3
[M+H-H2O]+ 257.976560 146.9
[M+HCOO]- 319.977501 166.1
[M+CH3COO]- 333.993151 192.0
[M+Na-2H]- 295.953966 152.8
[M]+ 274.97875142 169.0
[M]- 274.97984858 169.0
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

No patent data available for this compound.