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]+ 212.96581 132.6
[M+Na]+ 234.94775 148.2
[M-H]- 210.95125 139.1
[M+NH4]+ 229.99235 154.6
[M+K]+ 250.92169 138.9
[M+H-H2O]+ 194.95579 132.8
[M+HCOO]- 256.95673 154.4
[M+CH3COO]- 270.97238 149.7
[M+Na-2H]- 232.93320 143.5
[M]+ 211.95798 155.1
[M]- 211.95908 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.