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

1
Patents

163.07455 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08183 129.1
[M+Na]+ 186.06377 141.7
[M-H]- 162.06727 130.5
[M+NH4]+ 181.10837 146.0
[M+K]+ 202.03771 139.7
[M+H-H2O]+ 146.07181 115.9
[M+HCOO]- 208.07275 148.0
[M+CH3COO]- 222.08840 193.0
[M+Na-2H]- 184.04922 134.7
[M]+ 163.07400 126.3
[M]- 163.07510 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