CID 4962484

93113-10-1

Structural Information

Molecular Formula
C8H10N4
SMILES
C1=CC2=NN=C(N2C=C1)CCN
InChI
InChI=1S/C8H10N4/c9-5-4-8-11-10-7-3-1-2-6-12(7)8/h1-3,6H,4-5,9H2
InChIKey
FKNUBXUNMZSEDM-UHFFFAOYSA-N
Compound name
2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

162.09055 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09783 131.4
[M+Na]+ 185.07977 141.9
[M-H]- 161.08327 132.1
[M+NH4]+ 180.12437 150.8
[M+K]+ 201.05371 138.6
[M+H-H2O]+ 145.08781 123.4
[M+HCOO]- 207.08875 155.0
[M+CH3COO]- 221.10440 145.1
[M+Na-2H]- 183.06522 140.5
[M]+ 162.09000 132.3
[M]- 162.09110 132.3
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.