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

8
Annotation Hits: 6
References: 3238
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	135.2
[M+Na]+	192.03173	142.8
[M-H]-	168.03523	136.0
[M+NH4]+	187.07633	157.3
[M+K]+	208.00567	139.9
[M+H-H2O]+	152.03977	131.9
[M+HCOO]-	214.04071	150.8
[M+CH3COO]-	228.05636	184.3
[M+Na-2H]-	190.01718	140.4
[M]+	169.04196	139.4
[M]-	169.04306	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.