CID 55289232

[1,2,4]triazolo[4,3-b]pyridazin-3-amine

Structural Information

Molecular Formula
C5H5N5
SMILES
C1=CC2=NN=C(N2N=C1)N
InChI
InChI=1S/C5H5N5/c6-5-9-8-4-2-1-3-7-10(4)5/h1-3H,(H2,6,9)
InChIKey
WRMORXSQCVEYOM-UHFFFAOYSA-N
Compound name
[1,2,4]triazolo[4,3-b]pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

135.05449 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.061766 122.7
[M+Na]+ 158.043708 134.6
[M-H]- 134.047214 122.5
[M+NH4]+ 153.088313 141.7
[M+K]+ 174.017648 131.7
[M+H-H2O]+ 118.051750 114.5
[M+HCOO]- 180.052691 145.8
[M+CH3COO]- 194.068341 136.8
[M+Na-2H]- 156.029156 133.3
[M]+ 135.05394142 123.0
[M]- 135.05503858 123.0
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