CID 15079222

1909348-25-9

Structural Information

Molecular Formula
C8H9N5
SMILES
C1=CN=CC=C1C2=NNC(=N2)CN
InChI
InChI=1S/C8H9N5/c9-5-7-11-8(13-12-7)6-1-3-10-4-2-6/h1-4H,5,9H2,(H,11,12,13)
InChIKey
BIZJPAORZHDEEL-UHFFFAOYSA-N
Compound name
(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

175.0858 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.093076 136.0
[M+Na]+ 198.075018 145.0
[M-H]- 174.078524 136.1
[M+NH4]+ 193.119623 151.2
[M+K]+ 214.048958 140.6
[M+H-H2O]+ 158.083060 126.6
[M+HCOO]- 220.084001 156.8
[M+CH3COO]- 234.099651 148.0
[M+Na-2H]- 196.060466 143.0
[M]+ 175.08525142 132.7
[M]- 175.08634858 132.7
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