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]+ 178.097486 135.3
[M+Na]+ 200.079428 146.4
[M-H]- 176.082934 135.0
[M+NH4]+ 195.124033 150.8
[M+K]+ 216.053368 143.3
[M+H-H2O]+ 160.087470 121.9
[M+HCOO]- 222.088411 152.6
[M+CH3COO]- 236.104061 192.3
[M+Na-2H]- 198.064876 140.6
[M]+ 177.08966142 130.8
[M]- 177.09075858 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.