CID 10798301

130742-22-2

Structural Information

Molecular Formula

C₅H₄BrNO₃

SMILES

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

InChI

InChI=1S/C5H4BrNO3/c1-2-3(5(8)9)4(6)7-10-2/h1H3,(H,8,9)

InChIKey

MWOSKCLDLLPNFA-UHFFFAOYSA-N

Compound name

3-bromo-5-methyl-1,2-oxazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 204.93745 Da
Monoisotopic Mass: 1.3
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	136.1
[M+Na]+	227.92667	138.1
[M+NH4]+	222.97127	139.5
[M+K]+	243.90061	142.0
[M-H]-	203.93017	135.3
[M+Na-2H]-	225.91212	136.8
[M]+	204.93690	134.7
[M]-	204.93800	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe