CID 23006250

Methyl 4-bromoisoxazole-5-carboxylate

Structural Information

Molecular Formula

C₅H₄BrNO₃

SMILES

COC(=O)C1=C(C=NO1)Br

InChI

InChI=1S/C5H4BrNO3/c1-9-5(8)4-3(6)2-7-10-4/h2H,1H3

InChIKey

WRHMCKFEBTXARV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.93745 Da
Monoisotopic Mass: 1.2
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]+	205.94473	135.5
[M+Na]+	227.92667	137.7
[M+NH4]+	222.97127	139.2
[M+K]+	243.90061	141.1
[M-H]-	203.93017	135.0
[M+Na-2H]-	225.91212	137.0
[M]+	204.93690	134.3
[M]-	204.93800	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.