CID 55302229

875233-85-5

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]+	162.068026	133.4
[M+Na]+	184.049968	142.3
[M-H]-	160.053474	135.4
[M+NH4]+	179.094573	155.8
[M+K]+	200.023908	139.4
[M+H-H2O]+	144.058010	128.4
[M+HCOO]-	206.058951	150.8
[M+CH3COO]-	220.074601	176.1
[M+Na-2H]-	182.035416	136.3
[M]+	161.06020142	134.0
[M]-	161.06129858	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.