CID 2807627

Maybridge4_001053

Structural Information

Molecular Formula
C11H15N5
SMILES
CC1CCCN(C1)C2=NN3C=NN=C3C=C2
InChI
InChI=1S/C11H15N5/c1-9-3-2-6-15(7-9)11-5-4-10-13-12-8-16(10)14-11/h4-5,8-9H,2-3,6-7H2,1H3
InChIKey
FVKKJGJZNUEFAD-UHFFFAOYSA-N
Compound name
6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

217.13275 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.140026 150.4
[M+Na]+ 240.121968 159.6
[M-H]- 216.125474 151.1
[M+NH4]+ 235.166573 164.7
[M+K]+ 256.095908 155.1
[M+H-H2O]+ 200.130010 139.5
[M+HCOO]- 262.130951 166.6
[M+CH3COO]- 276.146601 161.4
[M+Na-2H]- 238.107416 156.1
[M]+ 217.13220142 148.4
[M]- 217.13329858 148.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.