CID 91882991

6-oxo-1,6-dihydropyridazine-4-carbonitrile

Structural Information

Molecular Formula
C5H3N3O
SMILES
C1=C(C=NNC1=O)C#N
InChI
InChI=1S/C5H3N3O/c6-2-4-1-5(9)8-7-3-4/h1,3H,(H,8,9)
InChIKey
AKDWXDZPBGJPQK-UHFFFAOYSA-N
Compound name
6-oxo-1H-pyridazine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

121.02761 Da
Monoisotopic Mass

-0.8
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

literature stripe

Patent stripe

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