CID 43184083

1019108-76-9

Structural Information

Molecular Formula
C8H10N4O
SMILES
C1=CC2=NN(C(=O)N2C=C1)CCN
InChI
InChI=1S/C8H10N4O/c9-4-6-12-8(13)11-5-2-1-3-7(11)10-12/h1-3,5H,4,6,9H2
InChIKey
OLRMEUCJESNBHA-UHFFFAOYSA-N
Compound name
2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.08546 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.09274 134.6
[M+Na]+ 201.07468 147.6
[M+NH4]+ 196.11928 141.9
[M+K]+ 217.04862 143.6
[M-H]- 177.07818 135.2
[M+Na-2H]- 199.06013 140.9
[M]+ 178.08491 136.4
[M]- 178.08601 136.4
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.