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-methoxypyridin-3-yl)-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]+ 275.98658 147.7
[M+Na]+ 297.96852 158.8
[M-H]- 273.97202 151.7
[M+NH4]+ 293.01312 165.7
[M+K]+ 313.94246 149.3
[M+H-H2O]+ 257.97656 146.9
[M+HCOO]- 319.97750 166.1
[M+CH3COO]- 333.99315 192.0
[M+Na-2H]- 295.95397 152.8
[M]+ 274.97875 169.0
[M]- 274.97985 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.