CID 391405

Nsc690578

Structural Information

Molecular Formula
C4H5N7
SMILES
C1=NN=C(C2=NNN=C21)NN
InChI
InChI=1S/C4H5N7/c5-7-4-3-2(1-6-10-4)8-11-9-3/h1H,5H2,(H,7,10)(H,8,9,11)
InChIKey
KSEJAGADQCEKJY-UHFFFAOYSA-N
Compound name
2H-triazolo[4,5-d]pyridazin-4-ylhydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.06064 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.06792 126.1
[M+Na]+ 174.04986 137.2
[M-H]- 150.05336 123.6
[M+NH4]+ 169.09446 142.0
[M+K]+ 190.02380 133.4
[M+H-H2O]+ 134.05790 117.3
[M+HCOO]- 196.05884 147.8
[M+CH3COO]- 210.07449 138.7
[M+Na-2H]- 172.03531 137.4
[M]+ 151.06009 124.2
[M]- 151.06119 124.2
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.