CID 97627617

2-bromo-4-(tert-butyl)oxazole

Structural Information

Molecular Formula

C₇H₁₀BrNO

SMILES

CC(C)(C)C1=COC(=N1)Br

InChI

InChI=1S/C7H10BrNO/c1-7(2,3)5-4-10-6(8)9-5/h4H,1-3H3

InChIKey

DXOBFQGZJDFOOG-UHFFFAOYSA-N

Compound name

2-bromo-4-tert-butyl-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 202.99458 Da
Monoisotopic Mass: 3.1
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]+	204.00186	139.5
[M+Na]+	225.98380	142.1
[M+NH4]+	221.02840	144.1
[M+K]+	241.95774	144.6
[M-H]-	201.98730	139.8
[M+Na-2H]-	223.96925	141.6
[M]+	202.99403	138.8
[M]-	202.99513	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe