CID 47002772

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

Structural Information

Molecular Formula
C8H9N5
SMILES
C1=CC=NC(=C1)CN2C=NC(=N2)N
InChI
InChI=1S/C8H9N5/c9-8-11-6-13(12-8)5-7-3-1-2-4-10-7/h1-4,6H,5H2,(H2,9,12)
InChIKey
FKLFQTLLGKCEKY-UHFFFAOYSA-N
Compound name
1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0858 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09308 135.5
[M+Na]+ 198.07502 148.4
[M+NH4]+ 193.11962 142.7
[M+K]+ 214.04896 144.4
[M-H]- 174.07852 137.4
[M+Na-2H]- 196.06047 144.1
[M]+ 175.08525 137.6
[M]- 175.08635 137.6
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.