CID 47003546

3-{5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyridin-3-yl}propan-1-amine dihydrochloride

Structural Information

Molecular Formula
C9H16N4
SMILES
C1CCN2C(=NN=C2CCCN)C1
InChI
InChI=1S/C9H16N4/c10-6-3-5-9-12-11-8-4-1-2-7-13(8)9/h1-7,10H2
InChIKey
MDODJVLFBCETIB-UHFFFAOYSA-N
Compound name
3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.1375 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.14478 140.6
[M+Na]+ 203.12672 147.4
[M-H]- 179.13022 139.9
[M+NH4]+ 198.17132 158.8
[M+K]+ 219.10066 144.6
[M+H-H2O]+ 163.13476 132.1
[M+HCOO]- 225.13570 159.4
[M+CH3COO]- 239.15135 152.0
[M+Na-2H]- 201.11217 145.9
[M]+ 180.13695 137.4
[M]- 180.13805 137.4
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.