CID 155937662

2169238-42-8

Structural Information

Molecular Formula
C11H17BrN4O2
SMILES
CC(C)(C)OC(=O)N1CCN2C(=C(C(=N2)N)Br)C1
InChI
InChI=1S/C11H17BrN4O2/c1-11(2,3)18-10(17)15-4-5-16-7(6-15)8(12)9(13)14-16/h4-6H2,1-3H3,(H2,13,14)
InChIKey
XZGDQAQJWNGIHY-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-3-bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0535 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06078 166.9
[M+Na]+ 339.04272 177.9
[M-H]- 315.04622 170.0
[M+NH4]+ 334.08732 184.1
[M+K]+ 355.01666 167.2
[M+H-H2O]+ 299.05076 165.6
[M+HCOO]- 361.05170 181.0
[M+CH3COO]- 375.06735 203.0
[M+Na-2H]- 337.02817 170.7
[M]+ 316.05295 184.5
[M]- 316.05405 184.5
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.