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 153.1
[M+Na]+ 231.04079 167.8
[M-H]- 207.04429 156.4
[M+NH4]+ 226.08539 165.9
[M+K]+ 247.01473 160.8
[M+H-H2O]+ 191.04883 144.1
[M+HCOO]- 253.04977 169.8
[M+CH3COO]- 267.06542 165.5
[M+Na-2H]- 229.02624 158.5
[M]+ 208.05102 159.0
[M]- 208.05212 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.