CID 100756853

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

Structural Information

Molecular Formula
C7H7N5
SMILES
C1=CC(=CN=C1)NC2=NC=NN2
InChI
InChI=1S/C7H7N5/c1-2-6(4-8-3-1)11-7-9-5-10-12-7/h1-5H,(H2,9,10,11,12)
InChIKey
ZCVNKNHYNSXSIK-UHFFFAOYSA-N
Compound name
N-(1H-1,2,4-triazol-5-yl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

161.07014 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.077416 130.4
[M+Na]+ 184.059358 138.8
[M-H]- 160.062864 130.7
[M+NH4]+ 179.103963 146.1
[M+K]+ 200.033298 135.2
[M+H-H2O]+ 144.067400 120.9
[M+HCOO]- 206.068341 152.1
[M+CH3COO]- 220.083991 142.7
[M+Na-2H]- 182.044806 139.8
[M]+ 161.06959142 127.4
[M]- 161.07068858 127.4
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

patents stripe