CID 22636611

6-oxo-1,6-dihydropyridazine-3-carbonitrile

Structural Information

Molecular Formula
C5H3N3O
SMILES
C1=CC(=O)NN=C1C#N
InChI
InChI=1S/C5H3N3O/c6-3-4-1-2-5(9)8-7-4/h1-2H,(H,8,9)
InChIKey
ZZONMTHZRYNTMT-UHFFFAOYSA-N
Compound name
6-oxo-1H-pyridazine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

121.02761 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.03489 120.0
[M+Na]+ 144.01683 131.0
[M-H]- 120.02033 119.5
[M+NH4]+ 139.06143 136.9
[M+K]+ 159.99077 128.5
[M+H-H2O]+ 104.02487 106.7
[M+HCOO]- 166.02581 138.4
[M+CH3COO]- 180.04146 179.4
[M+Na-2H]- 142.00228 128.4
[M]+ 121.02706 113.5
[M]- 121.02816 113.5
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

patents stripe