CID 45791

Dtxsid30981414

Structural Information

Molecular Formula

C₆H₁₄Cl₂N

SMILES

C[N+](C)(CCCl)CCCl

InChI

InChI=1S/C6H14Cl2N/c1-9(2,5-3-7)6-4-8/h3-6H2,1-2H3/q+1

InChIKey

KHZJDGIUHKROEA-UHFFFAOYSA-N

Compound name

bis(2-chloroethyl)-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 170.05032 Da
Monoisotopic Mass: 1.5
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]+	171.057596	132.3
[M+Na]+	193.039538	140.3
[M-H]-	169.043044	133.4
[M+NH4]+	188.084143	154.5
[M+K]+	209.013478	132.2
[M+H-H2O]+	153.047580	132.5
[M+HCOO]-	215.048521	146.9
[M+CH3COO]-	229.064171	177.6
[M+Na-2H]-	191.024986	141.6
[M]+	170.04977142	135.0
[M]-	170.05086858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe