CID 12913749

3-bromo-1h-pyrazolo[3,4-b]pyrazine

Structural Information

Molecular Formula
C5H3BrN4
SMILES
C1=NC2=C(NN=C2N=C1)Br
InChI
InChI=1S/C5H3BrN4/c6-4-3-5(10-9-4)8-2-1-7-3/h1-2H,(H,8,9,10)
InChIKey
TVXWHRBXOWQEJD-UHFFFAOYSA-N
Compound name
3-bromo-2H-pyrazolo[3,4-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

197.95412 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.96140 127.4
[M+Na]+ 220.94334 142.6
[M-H]- 196.94684 129.3
[M+NH4]+ 215.98794 147.6
[M+K]+ 236.91728 131.2
[M+H-H2O]+ 180.95138 126.7
[M+HCOO]- 242.95232 146.7
[M+CH3COO]- 256.96797 143.0
[M+Na-2H]- 218.92879 139.0
[M]+ 197.95357 146.3
[M]- 197.95467 146.3
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

patents stripe