CID 229508

5,5-dimethyl-2-phenylpyrazolidin-3-one

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

CC1(CC(=O)N(N1)C2=CC=CC=C2)C

InChI

InChI=1S/C11H14N2O/c1-11(2)8-10(14)13(12-11)9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3

InChIKey

HXIUYEXGEYYABB-UHFFFAOYSA-N

Compound name

5,5-dimethyl-2-phenylpyrazolidin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 190.11061 Da
Monoisotopic Mass: 1.4
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]+	191.11789	143.0
[M+Na]+	213.09983	155.1
[M+NH4]+	208.14443	152.3
[M+K]+	229.07377	148.8
[M-H]-	189.10333	145.0
[M+Na-2H]-	211.08528	150.8
[M]+	190.11006	145.3
[M]-	190.11116	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe