CID 155821589

2460757-68-8

Structural Information

Molecular Formula
C6H8BrN3
SMILES
C1CC2=C(C=NN2NC1)Br
InChI
InChI=1S/C6H8BrN3/c7-5-4-9-10-6(5)2-1-3-8-10/h4,8H,1-3H2
InChIKey
ZCGBEGLWYLAWQU-UHFFFAOYSA-N
Compound name
3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.99016 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99744 140.5
[M+Na]+ 223.97938 142.7
[M+NH4]+ 219.02398 145.2
[M+K]+ 239.95332 144.2
[M-H]- 199.98288 139.3
[M+Na-2H]- 221.96483 141.9
[M]+ 200.98961 139.1
[M]- 200.99071 139.1
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.