CID 82658558

3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

Structural Information

Molecular Formula
C6H8BrN3
SMILES
C1CN2C(=C(C=N2)Br)CN1
InChI
InChI=1S/C6H8BrN3/c7-5-3-9-10-2-1-8-4-6(5)10/h3,8H,1-2,4H2
InChIKey
UXJVCOJMZKUACU-UHFFFAOYSA-N
Compound name
3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

200.99016 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99744 135.0
[M+Na]+ 223.97938 146.9
[M-H]- 199.98288 137.0
[M+NH4]+ 219.02398 156.1
[M+K]+ 239.95332 136.0
[M+H-H2O]+ 183.98742 134.5
[M+HCOO]- 245.98836 151.1
[M+CH3COO]- 260.00401 149.2
[M+Na-2H]- 221.96483 143.0
[M]+ 200.98961 149.7
[M]- 200.99071 149.7
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

patents stripe