CID 47002772

1184416-55-4

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]+ 176.093076 135.5
[M+Na]+ 198.075018 144.9
[M-H]- 174.078524 137.0
[M+NH4]+ 193.119623 151.4
[M+K]+ 214.048958 141.5
[M+H-H2O]+ 158.083060 125.9
[M+HCOO]- 220.084001 157.8
[M+CH3COO]- 234.099651 148.2
[M+Na-2H]- 196.060466 143.0
[M]+ 175.08525142 134.1
[M]- 175.08634858 134.1
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.