CID 10584982

188686-98-8

Structural Information

Molecular Formula

C₆H₆BrNO₃

SMILES

CC1=C(C(=NO1)Br)C(=O)OC

InChI

InChI=1S/C6H6BrNO3/c1-3-4(6(9)10-2)5(7)8-11-3/h1-2H3

InChIKey

WASAAXGZSAUBPI-UHFFFAOYSA-N

Compound name

methyl 3-bromo-5-methyl-1,2-oxazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.95311 Da
Monoisotopic Mass: 1.6
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]+	219.96039	139.5
[M+Na]+	241.94233	141.8
[M+NH4]+	236.98693	143.1
[M+K]+	257.91627	145.2
[M-H]-	217.94583	139.0
[M+Na-2H]-	239.92778	140.5
[M]+	218.95256	138.3
[M]-	218.95366	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.