CID 10848

Bis(2-chloroethyl)ethylamine

Structural Information

Molecular Formula

C₆H₁₃Cl₂N

SMILES

CCN(CCCl)CCCl

InChI

InChI=1S/C6H13Cl2N/c1-2-9(5-3-7)6-4-8/h2-6H2,1H3

InChIKey

UQZPGHOJMQTOHB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 6
References: 1453
Patents: 169.04251 Da
Monoisotopic Mass: 1.8
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]+	170.04979	132.8
[M+Na]+	192.03173	144.5
[M+NH4]+	187.07633	142.1
[M+K]+	208.00567	137.1
[M-H]-	168.03523	133.8
[M+Na-2H]-	190.01718	138.1
[M]+	169.04196	135.2
[M]-	169.04306	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe