CID 425894

7-bromo-1h,2h,3h-pyrazolo[1,5-a]imidazole

Structural Information

Molecular Formula
C5H6BrN3
SMILES
C1CN2C(=C(C=N2)Br)N1
InChI
InChI=1S/C5H6BrN3/c6-4-3-8-9-2-1-7-5(4)9/h3,7H,1-2H2
InChIKey
XXESRZTZFPKCDG-UHFFFAOYSA-N
Compound name
7-bromo-2,3-dihydro-1H-imidazo[1,2-b]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

186.9745 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.98178 132.3
[M+Na]+ 209.96372 145.7
[M-H]- 185.96722 135.1
[M+NH4]+ 205.00832 155.7
[M+K]+ 225.93766 135.5
[M+H-H2O]+ 169.97176 132.0
[M+HCOO]- 231.97270 150.9
[M+CH3COO]- 245.98835 147.6
[M+Na-2H]- 207.94917 139.1
[M]+ 186.97395 148.6
[M]- 186.97505 148.6
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