CID 12444168

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

Structural Information

Molecular Formula

C₆H₁₀ClNO

SMILES

CN1C(CCC1=O)CCl

InChI

InChI=1S/C6H10ClNO/c1-8-5(4-7)2-3-6(8)9/h5H,2-4H2,1H3

InChIKey

KSTOZNWYSSCMBN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 147.04509 Da
Monoisotopic Mass: 0.4
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]+	148.05237	127.5
[M+Na]+	170.03431	139.1
[M+NH4]+	165.07891	136.3
[M+K]+	186.00825	134.6
[M-H]-	146.03781	128.2
[M+Na-2H]-	168.01976	132.0
[M]+	147.04454	129.4
[M]-	147.04564	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe