CID 121601679

2-bromo-4-cyclopropyl-1,3-oxazole

Structural Information

Molecular Formula

SMILES

C1CC1C2=COC(=N2)Br

InChI

InChI=1S/C6H6BrNO/c7-6-8-5(3-9-6)4-1-2-4/h3-4H,1-2H2

InChIKey

AUFHUYMPMSRIJH-UHFFFAOYSA-N

Compound name

2-bromo-4-cyclopropyl-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.96329 Da
Monoisotopic Mass: 1.9
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]+	187.97057	128.1
[M+Na]+	209.95251	133.1
[M+NH4]+	204.99711	134.1
[M+K]+	225.92645	136.1
[M-H]-	185.95601	136.0
[M+Na-2H]-	207.93796	134.3
[M]+	186.96274	130.9
[M]-	186.96384	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.