CID 116305

64039-02-7

Structural Information

Molecular Formula

C₈H₁₆Cl₂NO

SMILES

C1COCC[N+]1(CCCl)CCCl

InChI

InChI=1S/C8H16Cl2NO/c9-1-3-11(4-2-10)5-7-12-8-6-11/h1-8H2/q+1

InChIKey

AYEHLTFKJVLKHK-UHFFFAOYSA-N

Compound name

4,4-bis(2-chloroethyl)morpholin-4-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.0609 Da
Monoisotopic Mass: 1.1
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]+	213.06818	140.6
[M+Na]+	235.05012	146.6
[M-H]-	211.05362	141.6
[M+NH4]+	230.09472	159.4
[M+K]+	251.02406	138.7
[M+H-H2O]+	195.05816	138.8
[M+HCOO]-	257.05910	148.9
[M+CH3COO]-	271.07475	176.0
[M+Na-2H]-	233.03557	149.2
[M]+	212.06035	139.4
[M]-	212.06145	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.