CID 321082

[1,2,3,4]tetrazolo[1,5-b]pyridazin-6-amine

Structural Information

Molecular Formula
C4H4N6
SMILES
C1=CC2=NN=NN2N=C1N
InChI
InChI=1S/C4H4N6/c5-3-1-2-4-6-8-9-10(4)7-3/h1-2H,(H2,5,7)
InChIKey
FCBRQZIPVWCKKL-UHFFFAOYSA-N
Compound name
tetrazolo[1,5-b]pyridazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

136.04974 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.057016 123.3
[M+Na]+ 159.038958 135.7
[M-H]- 135.042464 121.9
[M+NH4]+ 154.083563 140.9
[M+K]+ 175.012898 132.8
[M+H-H2O]+ 119.047000 114.6
[M+HCOO]- 181.047941 145.4
[M+CH3COO]- 195.063591 137.1
[M+Na-2H]- 157.024406 134.3
[M]+ 136.04919142 123.8
[M]- 136.05028858 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