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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.97670 132.8
[M+Na]+ 249.95864 147.1
[M-H]- 225.96214 135.6
[M+NH4]+ 245.00324 151.3
[M+K]+ 265.93258 136.6
[M+H-H2O]+ 209.96668 125.1
[M+HCOO]- 271.96762 149.3
[M+CH3COO]- 285.98327 146.4
[M+Na-2H]- 247.94409 140.6
[M]+ 226.96887 144.3
[M]- 226.96997 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.