CID 52987774

6-bromo-2-methyloxazolo[4,5-b]pyridine

Structural Information

Molecular Formula

C₇H₅BrN₂O

SMILES

CC1=NC2=C(O1)C=C(C=N2)Br

InChI

InChI=1S/C7H5BrN2O/c1-4-10-7-6(11-4)2-5(8)3-9-7/h2-3H,1H3

InChIKey

WMFQSNQAZSEQQE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 211.95853 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.96581	136.5
[M+Na]+	234.94775	142.0
[M+NH4]+	229.99235	141.8
[M+K]+	250.92169	143.3
[M-H]-	210.95125	137.8
[M+Na-2H]-	232.93320	140.2
[M]+	211.95798	136.6
[M]-	211.95908	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe