CID 11105662

1-(3-chloropropyl)pyrrolidin-2-one

Structural Information

Molecular Formula

C₇H₁₂ClNO

SMILES

C1CC(=O)N(C1)CCCCl

InChI

InChI=1S/C7H12ClNO/c8-4-2-6-9-5-1-3-7(9)10/h1-6H2

InChIKey

LNLIBBYAXDZTNJ-UHFFFAOYSA-N

Compound name

1-(3-chloropropyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 161.06075 Da
Monoisotopic Mass: 0.7
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	134.0
[M+Na]+	184.04997	142.0
[M-H]-	160.05347	135.6
[M+NH4]+	179.09457	156.1
[M+K]+	200.02391	139.1
[M+H-H2O]+	144.05801	128.6
[M+HCOO]-	206.05895	151.4
[M+CH3COO]-	220.07460	175.0
[M+Na-2H]-	182.03542	137.6
[M]+	161.06020	134.2
[M]-	161.06130	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe