CID 3042359

59618-42-7

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CC1=CC(=CC=C1)C2(CCC(=O)N2C)O

InChI

InChI=1S/C12H15NO2/c1-9-4-3-5-10(8-9)12(15)7-6-11(14)13(12)2/h3-5,8,15H,6-7H2,1-2H3

InChIKey

YVSSROZPEKIDFD-UHFFFAOYSA-N

Compound name

5-hydroxy-1-methyl-5-(3-methylphenyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 205.11028 Da
Monoisotopic Mass: 0.9
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]+	206.11756	143.8
[M+Na]+	228.09950	152.8
[M-H]-	204.10300	148.6
[M+NH4]+	223.14410	165.0
[M+K]+	244.07344	149.7
[M+H-H2O]+	188.10754	138.0
[M+HCOO]-	250.10848	164.7
[M+CH3COO]-	264.12413	182.8
[M+Na-2H]-	226.08495	147.2
[M]+	205.10973	142.5
[M]-	205.11083	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe