CID 91812038

4-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperidine dihydrochloride

Structural Information

Molecular Formula
C11H15N5
SMILES
CC1=NN=C2N1N=C(C=C2)C3CCNCC3
InChI
InChI=1S/C11H15N5/c1-8-13-14-11-3-2-10(15-16(8)11)9-4-6-12-7-5-9/h2-3,9,12H,4-7H2,1H3
InChIKey
POXKARFUFDTOIZ-UHFFFAOYSA-N
Compound name
3-methyl-6-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.13275 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.140026 150.8
[M+Na]+ 240.121968 159.6
[M-H]- 216.125474 150.3
[M+NH4]+ 235.166573 164.4
[M+K]+ 256.095908 154.2
[M+H-H2O]+ 200.130010 140.4
[M+HCOO]- 262.130951 165.5
[M+CH3COO]- 276.146601 161.1
[M+Na-2H]- 238.107416 156.1
[M]+ 217.13220142 147.0
[M]- 217.13329858 147.0
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.