CID 12200173

2,5-dimethyl-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C6H8N2O
SMILES
CC1=CC(=O)N(N=C1)C
InChI
InChI=1S/C6H8N2O/c1-5-3-6(9)8(2)7-4-5/h3-4H,1-2H3
InChIKey
YYMGSACPTAPTGY-UHFFFAOYSA-N
Compound name
2,5-dimethylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

124.06366 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 120.6
[M+Na]+ 147.05288 131.6
[M-H]- 123.05638 122.4
[M+NH4]+ 142.09748 140.9
[M+K]+ 163.02682 130.1
[M+H-H2O]+ 107.06092 114.2
[M+HCOO]- 169.06186 144.0
[M+CH3COO]- 183.07751 171.1
[M+Na-2H]- 145.03833 129.2
[M]+ 124.06311 122.0
[M]- 124.06421 122.0
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