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[2,1-e]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

186.9745 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.981776 132.3
[M+Na]+ 209.963718 145.7
[M-H]- 185.967224 135.1
[M+NH4]+ 205.008323 155.7
[M+K]+ 225.937658 135.5
[M+H-H2O]+ 169.971760 132.0
[M+HCOO]- 231.972701 150.9
[M+CH3COO]- 245.988351 147.6
[M+Na-2H]- 207.949166 139.1
[M]+ 186.97395142 148.6
[M]- 186.97504858 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