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]+ 217.99236 138.1
[M+Na]+ 239.97430 150.1
[M-H]- 215.97780 142.9
[M+NH4]+ 235.01890 158.8
[M+K]+ 255.94824 140.6
[M+H-H2O]+ 199.98234 137.3
[M+HCOO]- 261.98328 156.2
[M+CH3COO]- 275.99893 152.9
[M+Na-2H]- 237.95975 145.8
[M]+ 216.98453 154.5
[M]- 216.98563 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.