CID 47003108

2-(chloromethyl)-4-ethylmorpholine

Structural Information

Molecular Formula

C₇H₁₄ClNO

SMILES

CCN1CCOC(C1)CCl

InChI

InChI=1S/C7H14ClNO/c1-2-9-3-4-10-7(5-8)6-9/h7H,2-6H2,1H3

InChIKey

YVALTHSXYFIFRQ-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-4-ethylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 163.07639 Da
Monoisotopic Mass: 0.9
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]+	164.083666	134.1
[M+Na]+	186.065608	140.9
[M-H]-	162.069114	136.1
[M+NH4]+	181.110213	153.1
[M+K]+	202.039548	139.7
[M+H-H2O]+	146.073650	128.5
[M+HCOO]-	208.074591	148.3
[M+CH3COO]-	222.090241	176.0
[M+Na-2H]-	184.051056	140.1
[M]+	163.07584142	133.6
[M]-	163.07693858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.