CID 12785854

78451-13-5

Structural Information

Molecular Formula

C₇H₈BrNO₃

SMILES

CCOC(=O)C1=C(N=C(O1)Br)C

InChI

InChI=1S/C7H8BrNO3/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3

InChIKey

DNPOJRGNNVJCRZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 232.96877 Da
Monoisotopic Mass: 2.3
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]+	233.97605	144.0
[M+Na]+	255.95799	146.1
[M+NH4]+	251.00259	147.4
[M+K]+	271.93193	149.3
[M-H]-	231.96149	143.5
[M+Na-2H]-	253.94344	144.8
[M]+	232.96822	142.8
[M]-	232.96932	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe