CID 54027295

4,5,6-trimethyl-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C7H10N2O
SMILES
CC1=C(C(=O)NN=C1C)C
InChI
InChI=1S/C7H10N2O/c1-4-5(2)7(10)9-8-6(4)3/h1-3H3,(H,9,10)
InChIKey
LDCGKKBWSMPGHX-UHFFFAOYSA-N
Compound name
3,4,5-trimethyl-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

138.07932 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.086596 125.9
[M+Na]+ 161.068538 137.0
[M-H]- 137.072044 126.6
[M+NH4]+ 156.113143 145.3
[M+K]+ 177.042478 134.4
[M+H-H2O]+ 121.076580 119.9
[M+HCOO]- 183.077521 147.5
[M+CH3COO]- 197.093171 172.6
[M+Na-2H]- 159.053986 132.7
[M]+ 138.07877142 126.2
[M]- 138.07986858 126.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe