CID 9578533

Brn 0779651

Structural Information

Molecular Formula
C8H7N5
SMILES
C1=CC=NC(=C1)/C=N/C2=NC=NN2
InChI
InChI=1S/C8H7N5/c1-2-4-9-7(3-1)5-10-8-11-6-12-13-8/h1-6H,(H,11,12,13)/b10-5+
InChIKey
AEALGZNZNJEHKA-BJMVGYQFSA-N
Compound name
(E)-1-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.07014 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07742 134.2
[M+Na]+ 196.05936 142.9
[M-H]- 172.06286 135.7
[M+NH4]+ 191.10396 150.0
[M+K]+ 212.03330 139.3
[M+H-H2O]+ 156.06740 124.2
[M+HCOO]- 218.06834 157.2
[M+CH3COO]- 232.08399 146.8
[M+Na-2H]- 194.04481 143.3
[M]+ 173.06959 132.5
[M]- 173.07069 132.5
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.