CID 170913339

3-bromo-4h,6h,7h-pyrazolo[3,2-c][1,4]oxazin-2-amine

Structural Information

Molecular Formula
C6H8BrN3O
SMILES
C1COCC2=C(C(=NN21)N)Br
InChI
InChI=1S/C6H8BrN3O/c7-5-4-3-11-2-1-10(4)9-6(5)8/h1-3H2,(H2,8,9)
InChIKey
IWEMTPFIXCRBIR-UHFFFAOYSA-N
Compound name
3-bromo-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.98508 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.992356 138.1
[M+Na]+ 239.974298 150.1
[M-H]- 215.977804 142.9
[M+NH4]+ 235.018903 158.8
[M+K]+ 255.948238 140.6
[M+H-H2O]+ 199.982340 137.3
[M+HCOO]- 261.983281 156.2
[M+CH3COO]- 275.998931 152.9
[M+Na-2H]- 237.959746 145.8
[M]+ 216.98453142 154.5
[M]- 216.98562858 154.5
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.