CID 119031553

2-(pyridazin-3-yl)propanedinitrile

Structural Information

Molecular Formula
C7H4N4
SMILES
C1=CC(=NN=C1)C(C#N)C#N
InChI
InChI=1S/C7H4N4/c8-4-6(5-9)7-2-1-3-10-11-7/h1-3,6H
InChIKey
DUEYSRKGJZAKAV-UHFFFAOYSA-N
Compound name
2-pyridazin-3-ylpropanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.0436 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.05088 139.9
[M+Na]+ 167.03282 148.7
[M-H]- 143.03632 140.4
[M+NH4]+ 162.07742 151.4
[M+K]+ 183.00676 146.5
[M+H-H2O]+ 127.04086 123.0
[M+HCOO]- 189.04180 150.7
[M+CH3COO]- 203.05745 209.5
[M+Na-2H]- 165.01827 144.0
[M]+ 144.04305 130.8
[M]- 144.04415 130.8
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.