CID 3022063

93040-74-5

Structural Information

Molecular Formula

C₁₁H₁₂ClNO₂

SMILES

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

InChI

InChI=1S/C11H12ClNO2/c1-13-10(14)5-6-11(13,15)8-3-2-4-9(12)7-8/h2-4,7,15H,5-6H2,1H3

InChIKey

DSWHUSOOSLOXMO-UHFFFAOYSA-N

Compound name

5-(3-chlorophenyl)-5-hydroxy-1-methylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 225.05565 Da
Monoisotopic Mass: 1.2
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]+	226.062926	146.0
[M+Na]+	248.044868	156.1
[M-H]-	224.048374	150.7
[M+NH4]+	243.089473	167.2
[M+K]+	264.018808	151.3
[M+H-H2O]+	208.052910	140.8
[M+HCOO]-	270.053851	162.6
[M+CH3COO]-	284.069501	183.6
[M+Na-2H]-	246.030316	149.4
[M]+	225.05510142	146.2
[M]-	225.05619858	146.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.