CID 258108

[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

Structural Information

Molecular Formula
C4H4N6
SMILES
C1=NC2=NC=NN2C(=N1)N
InChI
InChI=1S/C4H4N6/c5-3-6-1-7-4-8-2-9-10(3)4/h1-2H,(H2,5,6,7,8,9)
InChIKey
ZHZWMRRPQUILBB-UHFFFAOYSA-N
Compound name
[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

248
Patents

136.04974 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.05702 123.3
[M+Na]+ 159.03896 135.7
[M-H]- 135.04246 121.9
[M+NH4]+ 154.08356 140.9
[M+K]+ 175.01290 132.8
[M+H-H2O]+ 119.04700 114.6
[M+HCOO]- 181.04794 145.4
[M+CH3COO]- 195.06359 137.1
[M+Na-2H]- 157.02441 134.3
[M]+ 136.04919 123.8
[M]- 136.05029 123.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe