CID 3022063

Brn 6507840

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]+	226.06293	146.2
[M+Na]+	248.04487	159.3
[M+NH4]+	243.08947	156.0
[M+K]+	264.01881	152.5
[M-H]-	224.04837	148.6
[M+Na-2H]-	246.03032	153.9
[M]+	225.05510	149.1
[M]-	225.05620	149.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.