CID 3052627

Brn 0784901

Structural Information

Molecular Formula

C₉H₁₅N₃O₂

SMILES

CCOC1=C(C=NN(C1=O)C)N(C)C

InChI

InChI=1S/C9H15N3O2/c1-5-14-8-7(11(2)3)6-10-12(4)9(8)13/h6H,5H2,1-4H3

InChIKey

PNZOLYZFZYIJDS-UHFFFAOYSA-N

Compound name

5-(dimethylamino)-4-ethoxy-2-methylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 197.11642 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.12370	141.4
[M+Na]+	220.10564	151.2
[M-H]-	196.10914	144.5
[M+NH4]+	215.15024	159.2
[M+K]+	236.07958	150.7
[M+H-H2O]+	180.11368	133.8
[M+HCOO]-	242.11462	165.5
[M+CH3COO]-	256.13027	191.8
[M+Na-2H]-	218.09109	147.1
[M]+	197.11587	146.2
[M]-	197.11697	146.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.