CID 115969

Hn1 amine oxide

Structural Information

Molecular Formula

C₆H₁₃Cl₂NO

SMILES

CC[N+](CCCl)(CCCl)[O-]

InChI

InChI=1S/C6H13Cl2NO/c1-2-9(10,5-3-7)6-4-8/h2-6H2,1H3

InChIKey

DPHJIIKILUCABY-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-chloroethyl)-N-ethylethanamine oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.03741 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]+	186.04469	139.3
[M+Na]+	208.02663	146.6
[M-H]-	184.03013	138.4
[M+NH4]+	203.07123	160.0
[M+K]+	224.00057	139.1
[M+H-H2O]+	168.03467	141.7
[M+HCOO]-	230.03561	153.4
[M+CH3COO]-	244.05126	176.4
[M+Na-2H]-	206.01208	147.2
[M]+	185.03686	141.1
[M]-	185.03796	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.