CID 132398446

2171912-47-1

Structural Information

Molecular Formula

C₇H₆BrN₃O

SMILES

C1COCC2=NC(=C(N21)C#N)Br

InChI

InChI=1S/C7H6BrN3O/c8-7-5(3-9)11-1-2-12-4-6(11)10-7/h1-2,4H2

InChIKey

FAJFGBBJXPPZLJ-UHFFFAOYSA-N

Compound name

2-bromo-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.96942 Da
Monoisotopic Mass: 0.5
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]+	227.976696	132.8
[M+Na]+	249.958638	147.1
[M-H]-	225.962144	135.6
[M+NH4]+	245.003243	151.3
[M+K]+	265.932578	136.6
[M+H-H2O]+	209.966680	125.1
[M+HCOO]-	271.967621	149.3
[M+CH3COO]-	285.983271	146.4
[M+Na-2H]-	247.944086	140.6
[M]+	226.96887142	144.3
[M]-	226.96996858	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.