CID 82394297

6-bromo-3-methyl-[1,2]oxazolo[5,4-b]pyridine

Structural Information

Molecular Formula
C7H5BrN2O
SMILES
CC1=NOC2=C1C=CC(=N2)Br
InChI
InChI=1S/C7H5BrN2O/c1-4-5-2-3-6(8)9-7(5)11-10-4/h2-3H,1H3
InChIKey
TUAXXVRALYFYCD-UHFFFAOYSA-N
Compound name
6-bromo-3-methyl-[1,2]oxazolo[5,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.95853 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.965806 132.6
[M+Na]+ 234.947748 148.2
[M-H]- 210.951254 139.1
[M+NH4]+ 229.992353 154.6
[M+K]+ 250.921688 138.9
[M+H-H2O]+ 194.955790 132.8
[M+HCOO]- 256.956731 154.4
[M+CH3COO]- 270.972381 149.7
[M+Na-2H]- 232.933196 143.5
[M]+ 211.95798142 155.1
[M]- 211.95907858 155.1
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.