CID 55302229

Akos006384582

Structural Information

Molecular Formula

C₇H₁₂ClNO

SMILES

CC1CCC(=O)N1CCCl

InChI

InChI=1S/C7H12ClNO/c1-6-2-3-7(10)9(6)5-4-8/h6H,2-5H2,1H3

InChIKey

CJZMWDUPJRYLKR-UHFFFAOYSA-N

Compound name

1-(2-chloroethyl)-5-methylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.06075 Da
Monoisotopic Mass: 0.8
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]+	162.06803	132.0
[M+Na]+	184.04997	143.4
[M+NH4]+	179.09457	140.7
[M+K]+	200.02391	138.6
[M-H]-	160.05347	132.6
[M+Na-2H]-	182.03542	136.2
[M]+	161.06020	133.9
[M]-	161.06130	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.