CID 165985265

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

Structural Information

Molecular Formula
C11H9BrN2O3
SMILES
CC1=NOC2=NC(=C(C(=C12)C(=O)O)Br)C3CC3
InChI
InChI=1S/C11H9BrN2O3/c1-4-6-7(11(15)16)8(12)9(5-2-3-5)13-10(6)17-14-4/h5H,2-3H2,1H3,(H,15,16)
InChIKey
YOBXWWXKMDXVSO-UHFFFAOYSA-N
Compound name
5-bromo-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.97964 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.98692 160.2
[M+Na]+ 318.96886 176.5
[M-H]- 294.97236 169.0
[M+NH4]+ 314.01346 173.7
[M+K]+ 334.94280 164.7
[M+H-H2O]+ 278.97690 159.4
[M+HCOO]- 340.97784 178.7
[M+CH3COO]- 354.99349 174.7
[M+Na-2H]- 316.95431 165.6
[M]+ 295.97909 184.3
[M]- 295.98019 184.3
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.