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]+ 209.05885 144.2
[M+Na]+ 231.04079 161.5
[M+NH4]+ 226.08539 153.4
[M+K]+ 247.01473 157.0
[M-H]- 207.04429 153.0
[M+Na-2H]- 229.02624 154.3
[M]+ 208.05102 150.6
[M]- 208.05212 150.6
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.