CID 11665457

5-(bromomethyl)oxazole

Structural Information

Molecular Formula

SMILES

C1=C(OC=N1)CBr

InChI

InChI=1S/C4H4BrNO/c5-1-4-2-6-3-7-4/h2-3H,1H2

InChIKey

GFDMJZUHSLWFNE-UHFFFAOYSA-N

Compound name

5-(bromomethyl)-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 160.94763 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]+	161.95491	127.0
[M+Na]+	183.93685	130.1
[M+NH4]+	178.98145	132.3
[M+K]+	199.91079	132.1
[M-H]-	159.94035	127.9
[M+Na-2H]-	181.92230	130.2
[M]+	160.94708	126.5
[M]-	160.94818	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe