CID 50987853

1258640-21-9

Structural Information

Molecular Formula
C9H11N3O
SMILES
CCC1=C(C(=O)NN=C1CC)C#N
InChI
InChI=1S/C9H11N3O/c1-3-6-7(5-10)9(13)12-11-8(6)4-2/h3-4H2,1-2H3,(H,12,13)
InChIKey
KKBDFDHBKIFPIO-UHFFFAOYSA-N
Compound name
3,4-diethyl-6-oxo-1H-pyridazine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09021 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 135.3
[M+Na]+ 200.07943 146.4
[M-H]- 176.08293 135.0
[M+NH4]+ 195.12403 150.8
[M+K]+ 216.05337 143.3
[M+H-H2O]+ 160.08747 121.9
[M+HCOO]- 222.08841 152.6
[M+CH3COO]- 236.10406 192.3
[M+Na-2H]- 198.06488 140.6
[M]+ 177.08966 130.8
[M]- 177.09076 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.