CID 25323915

2,5,6-trimethyl-3-oxo-2,3-dihydropyridazine-4-carbonitrile

Structural Information

Molecular Formula
C8H9N3O
SMILES
CC1=C(C(=O)N(N=C1C)C)C#N
InChI
InChI=1S/C8H9N3O/c1-5-6(2)10-11(3)8(12)7(5)4-9/h1-3H3
InChIKey
CIZYZUBJNUBRNR-UHFFFAOYSA-N
Compound name
2,5,6-trimethyl-3-oxopyridazine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

163.07455 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 129.1
[M+Na]+ 186.063768 141.7
[M-H]- 162.067274 130.5
[M+NH4]+ 181.108373 146.0
[M+K]+ 202.037708 139.7
[M+H-H2O]+ 146.071810 115.9
[M+HCOO]- 208.072751 148.0
[M+CH3COO]- 222.088401 193.0
[M+Na-2H]- 184.049216 134.7
[M]+ 163.07400142 126.3
[M]- 163.07509858 126.3
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