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

5
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

literature stripe

Patent stripe

patents stripe