CID 215363

35607-27-3

Structural Information

Molecular Formula
C7H7N5
SMILES
C1=CC(=CN=C1)C2=NC(=NN2)N
InChI
InChI=1S/C7H7N5/c8-7-10-6(11-12-7)5-2-1-3-9-4-5/h1-4H,(H3,8,10,11,12)
InChIKey
USTVEFNDQUIZNC-UHFFFAOYSA-N
Compound name
5-pyridin-3-yl-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

49
Patents

161.07014 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07742 131.6
[M+Na]+ 184.05936 141.1
[M-H]- 160.06286 131.9
[M+NH4]+ 179.10396 147.4
[M+K]+ 200.03330 137.0
[M+H-H2O]+ 144.06740 122.5
[M+HCOO]- 206.06834 152.8
[M+CH3COO]- 220.08399 144.0
[M+Na-2H]- 182.04481 139.1
[M]+ 161.06959 128.0
[M]- 161.07069 128.0
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