CID 13802085

105175-00-6

Structural Information

Molecular Formula

C₅H₆BrNO₂

SMILES

C1=C(ON=C1Br)CCO

InChI

InChI=1S/C5H6BrNO2/c6-5-3-4(1-2-8)9-7-5/h3,8H,1-2H2

InChIKey

DNJLIZMLXUFWFE-UHFFFAOYSA-N

Compound name

2-(3-bromo-1,2-oxazol-5-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
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	130.6
[M+Na]+	213.94741	143.3
[M-H]-	189.95091	135.3
[M+NH4]+	208.99201	152.5
[M+K]+	229.92135	134.3
[M+H-H2O]+	173.95545	131.0
[M+HCOO]-	235.95639	151.5
[M+CH3COO]-	249.97204	175.5
[M+Na-2H]-	211.93286	139.1
[M]+	190.95764	150.6
[M]-	190.95874	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe