CID 47002769

1178229-40-7

Structural Information

Molecular Formula
C8H9N5
SMILES
C1=CC(=CN=C1)CN2C=NC(=N2)N
InChI
InChI=1S/C8H9N5/c9-8-11-6-13(12-8)5-7-2-1-3-10-4-7/h1-4,6H,5H2,(H2,9,12)
InChIKey
GIWWWJBTNPQANF-UHFFFAOYSA-N
Compound name
1-(pyridin-3-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 144.9
[M-H]- 174.07852 137.0
[M+NH4]+ 193.11962 151.4
[M+K]+ 214.04896 141.5
[M+H-H2O]+ 158.08306 125.9
[M+HCOO]- 220.08400 157.8
[M+CH3COO]- 234.09965 148.2
[M+Na-2H]- 196.06047 143.0
[M]+ 175.08525 134.1
[M]- 175.08635 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.