CID 90288612

3-bromo-5-(pyrrolidin-1-yl)pyridazine

Structural Information

Molecular Formula
C8H10BrN3
SMILES
C1CCN(C1)C2=CC(=NN=C2)Br
InChI
InChI=1S/C8H10BrN3/c9-8-5-7(6-10-11-8)12-3-1-2-4-12/h5-6H,1-4H2
InChIKey
HBLOQWNGZRELPN-UHFFFAOYSA-N
Compound name
3-bromo-5-pyrrolidin-1-ylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

227.00581 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.01309 140.5
[M+Na]+ 249.99503 151.9
[M-H]- 225.99853 145.8
[M+NH4]+ 245.03963 160.1
[M+K]+ 265.96897 141.5
[M+H-H2O]+ 210.00307 138.9
[M+HCOO]- 272.00401 158.9
[M+CH3COO]- 286.01966 154.9
[M+Na-2H]- 247.98048 147.5
[M]+ 227.00526 156.4
[M]- 227.00636 156.4
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