CID 75861

2654-58-2

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

CC1(CN(NC1=O)C2=CC=CC=C2)C

InChI

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

InChIKey

SJSJAWHHGDPBOC-UHFFFAOYSA-N

Compound name

4,4-dimethyl-1-phenylpyrazolidin-3-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4346
Patents: 190.11061 Da
Monoisotopic Mass: 2.2
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	141.4
[M+Na]+	213.09983	150.0
[M-H]-	189.10333	144.5
[M+NH4]+	208.14443	161.6
[M+K]+	229.07377	146.5
[M+H-H2O]+	173.10787	134.5
[M+HCOO]-	235.10881	161.2
[M+CH3COO]-	249.12446	179.3
[M+Na-2H]-	211.08528	145.8
[M]+	190.11006	138.4
[M]-	190.11116	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe