CID 62690290

2093718-99-9

Structural Information

Molecular Formula
C12H16N4
SMILES
C1CC(CNC1)CC2=NN=C3N2C=CC=C3
InChI
InChI=1S/C12H16N4/c1-2-7-16-11(5-1)14-15-12(16)8-10-4-3-6-13-9-10/h1-2,5,7,10,13H,3-4,6,8-9H2
InChIKey
SFVJAVLMNPHPFP-UHFFFAOYSA-N
Compound name
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

216.1375 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.14478 149.4
[M+Na]+ 239.12672 162.8
[M+NH4]+ 234.17132 157.5
[M+K]+ 255.10066 157.2
[M-H]- 215.13022 151.5
[M+Na-2H]- 237.11217 156.6
[M]+ 216.13695 151.8
[M]- 216.13805 151.8
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

patents stripe