CID 13802086

105174-96-7

Structural Information

Molecular Formula

C₅H₆BrNO₂

SMILES

CC(C1=CC(=NO1)Br)O

InChI

InChI=1S/C5H6BrNO2/c1-3(8)4-2-5(6)7-9-4/h2-3,8H,1H3

InChIKey

WGLGIWBDQVBWJP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 190.95819 Da
Monoisotopic Mass: 0.9
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	131.5
[M+Na]+	213.94741	143.9
[M-H]-	189.95091	136.4
[M+NH4]+	208.99201	153.3
[M+K]+	229.92135	135.4
[M+H-H2O]+	173.95545	131.9
[M+HCOO]-	235.95639	151.5
[M+CH3COO]-	249.97204	176.3
[M+Na-2H]-	211.93286	138.8
[M]+	190.95764	150.9
[M]-	190.95874	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe