CID 211451

23132-30-1

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

CN1C(=O)CCC1(C2=CC=CC=C2)O

InChI

InChI=1S/C11H13NO2/c1-12-10(13)7-8-11(12,14)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3

InChIKey

YISVUHTYBANBBQ-UHFFFAOYSA-N

Compound name

5-hydroxy-1-methyl-5-phenylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 191.09464 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]+	192.101916	140.1
[M+Na]+	214.083858	148.6
[M-H]-	190.087364	144.7
[M+NH4]+	209.128463	161.6
[M+K]+	230.057798	145.7
[M+H-H2O]+	174.091900	134.2
[M+HCOO]-	236.092841	161.4
[M+CH3COO]-	250.108491	178.6
[M+Na-2H]-	212.069306	144.7
[M]+	191.09409142	138.1
[M]-	191.09518858	138.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.