CID 107512058

1690892-07-9

Structural Information

Molecular Formula

C₅H₆BrNO₂

SMILES

COCC1=COC(=N1)Br

InChI

InChI=1S/C5H6BrNO2/c1-8-2-4-3-9-5(6)7-4/h3H,2H2,1H3

InChIKey

SHEPTFKZHFGASO-UHFFFAOYSA-N

Compound name

2-bromo-4-(methoxymethyl)-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.95819 Da
Monoisotopic Mass: 1.0
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]+	191.96547	129.4
[M+Na]+	213.94741	142.6
[M-H]-	189.95091	135.5
[M+NH4]+	208.99201	152.1
[M+K]+	229.92135	134.6
[M+H-H2O]+	173.95545	129.7
[M+HCOO]-	235.95639	151.8
[M+CH3COO]-	249.97204	178.0
[M+Na-2H]-	211.93286	138.5
[M]+	190.95764	151.3
[M]-	190.95874	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.