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]+ 181.144776 140.6
[M+Na]+ 203.126718 147.4
[M-H]- 179.130224 139.9
[M+NH4]+ 198.171323 158.8
[M+K]+ 219.100658 144.6
[M+H-H2O]+ 163.134760 132.1
[M+HCOO]- 225.135701 159.4
[M+CH3COO]- 239.151351 152.0
[M+Na-2H]- 201.112166 145.9
[M]+ 180.13695142 137.4
[M]- 180.13804858 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.