CID 4414330

6112-47-6

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

CC1CC(=O)NN1C2=CC=CC=C2

InChI

InChI=1S/C10H12N2O/c1-8-7-10(13)11-12(8)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,13)

InChIKey

FIARATPVIIDWJT-UHFFFAOYSA-N

Compound name

5-methyl-1-phenylpyrazolidin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1410
Patents: 176.09496 Da
Monoisotopic Mass: 1.7
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]+	177.10224	139.0
[M+Na]+	199.08418	151.3
[M+NH4]+	194.12878	147.1
[M+K]+	215.05812	146.8
[M-H]-	175.08768	141.1
[M+Na-2H]-	197.06963	145.5
[M]+	176.09441	141.1
[M]-	176.09551	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe