CID 19836714

6-(2-chloroethyl)-3-methyl-1,3-oxazinan-2-one

Structural Information

Molecular Formula

C₇H₁₂ClNO₂

SMILES

CN1CCC(OC1=O)CCCl

InChI

InChI=1S/C7H12ClNO2/c1-9-5-3-6(2-4-8)11-7(9)10/h6H,2-5H2,1H3

InChIKey

FADOXHFBIDUDJC-UHFFFAOYSA-N

Compound name

6-(2-chloroethyl)-3-methyl-1,3-oxazinan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 177.05565 Da
Monoisotopic Mass: 1.3
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]+	178.06293	134.5
[M+Na]+	200.04487	146.9
[M+NH4]+	195.08947	142.8
[M+K]+	216.01881	141.0
[M-H]-	176.04837	136.8
[M+Na-2H]-	198.03032	138.9
[M]+	177.05510	137.1
[M]-	177.05620	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe