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
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 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.