CID 83819465

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

Structural Information

Molecular Formula
C6H8BrN3
SMILES
CN1CCN2C1=C(C=N2)Br
InChI
InChI=1S/C6H8BrN3/c1-9-2-3-10-6(9)5(7)4-8-10/h4H,2-3H2,1H3
InChIKey
WMZMFGZVTIQWJV-UHFFFAOYSA-N
Compound name
7-bromo-1-methyl-2,3-dihydroimidazo[2,1-e]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.99016 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.997436 135.9
[M+Na]+ 223.979378 150.2
[M-H]- 199.982884 140.1
[M+NH4]+ 219.023983 159.8
[M+K]+ 239.953318 140.5
[M+H-H2O]+ 183.987420 135.6
[M+HCOO]- 245.988361 155.6
[M+CH3COO]- 260.004011 151.8
[M+Na-2H]- 221.964826 142.0
[M]+ 200.98961142 154.6
[M]- 200.99070858 154.6
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

No patent data available for this compound.