CID 43144351

6-chloro-3-(2-methylcyclopropyl)-[1,2,4]triazolo[4,3-b]pyridazine

Structural Information

Molecular Formula
C9H9ClN4
SMILES
CC1CC1C2=NN=C3N2N=C(C=C3)Cl
InChI
InChI=1S/C9H9ClN4/c1-5-4-6(5)9-12-11-8-3-2-7(10)13-14(8)9/h2-3,5-6H,4H2,1H3
InChIKey
WQUSSIHFEIQPRI-UHFFFAOYSA-N
Compound name
6-chloro-3-(2-methylcyclopropyl)-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.05157 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.058846 153.1
[M+Na]+ 231.040788 167.8
[M-H]- 207.044294 156.4
[M+NH4]+ 226.085393 165.9
[M+K]+ 247.014728 160.8
[M+H-H2O]+ 191.048830 144.1
[M+HCOO]- 253.049771 169.8
[M+CH3COO]- 267.065421 165.5
[M+Na-2H]- 229.026236 158.5
[M]+ 208.05102142 159.0
[M]- 208.05211858 159.0
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.