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]+ 201.997436 135.0
[M+Na]+ 223.979378 146.9
[M-H]- 199.982884 137.0
[M+NH4]+ 219.023983 156.1
[M+K]+ 239.953318 136.0
[M+H-H2O]+ 183.987420 134.5
[M+HCOO]- 245.988361 151.1
[M+CH3COO]- 260.004011 149.2
[M+Na-2H]- 221.964826 143.0
[M]+ 200.98961142 149.7
[M]- 200.99070858 149.7
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.