CID 131288366

5-aminopyridazine-3-carbonitrile

Structural Information

Molecular Formula
C5H4N4
SMILES
C1=C(C=NN=C1C#N)N
InChI
InChI=1S/C5H4N4/c6-2-5-1-4(7)3-8-9-5/h1,3H,(H2,7,9)
InChIKey
YHUPAJTUSWPCPF-UHFFFAOYSA-N
Compound name
5-aminopyridazine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

120.043594 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.05087 125.7
[M+Na]+ 143.03281 137.8
[M+NH4]+ 138.07742 130.3
[M+K]+ 159.00675 129.2
[M-H]- 119.03632 120.0
[M+Na-2H]- 141.01826 130.4
[M]+ 120.04305 124.8
[M]- 120.04414 124.8
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.