CID 13911194

2-(1h-1,2,4-triazol-1-yl)pyridin-3-amine

Structural Information

Molecular Formula
C7H7N5
SMILES
C1=CC(=C(N=C1)N2C=NC=N2)N
InChI
InChI=1S/C7H7N5/c8-6-2-1-3-10-7(6)12-5-9-4-11-12/h1-5H,8H2
InChIKey
YCEYUGJVAQMPQK-UHFFFAOYSA-N
Compound name
2-(1,2,4-triazol-1-yl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 131.0
[M+Na]+ 184.05936 144.2
[M+NH4]+ 179.10396 138.4
[M+K]+ 200.03330 140.4
[M-H]- 160.06286 133.0
[M+Na-2H]- 182.04481 139.9
[M]+ 161.06959 133.2
[M]- 161.07069 133.2
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

patents stripe