CID 2763684

383146-86-9

Structural Information

Molecular Formula

C₈H₁₀N₂O₃

SMILES

CC1=NN(C(=O)C1C(=O)C)C(=O)C

InChI

InChI=1S/C8H10N2O3/c1-4-7(5(2)11)8(13)10(9-4)6(3)12/h7H,1-3H3

InChIKey

MYUDXBXLUNRVRM-UHFFFAOYSA-N

Compound name

2,4-diacetyl-5-methyl-4H-pyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.06914 Da
Monoisotopic Mass: -0.6
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]+	183.07642	139.1
[M+Na]+	205.05836	149.0
[M+NH4]+	200.10296	144.6
[M+K]+	221.03230	147.7
[M-H]-	181.06186	137.1
[M+Na-2H]-	203.04381	141.2
[M]+	182.06859	139.5
[M]-	182.06969	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.