CID 115968

2-(bis(2-chloroethyl)amino)ethanol hydrochloride

Structural Information

Molecular Formula

C₆H₁₃Cl₂NO

SMILES

C(CO)N(CCCl)CCCl

InChI

InChI=1S/C6H13Cl2NO/c7-1-3-9(4-2-8)5-6-10/h10H,1-6H2

InChIKey

AFMIOSNPRWXXRX-UHFFFAOYSA-N

Compound name

2-[bis(2-chloroethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 185.03741 Da
Monoisotopic Mass: 0.8
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]+	186.04469	137.9
[M+Na]+	208.02663	145.1
[M-H]-	184.03013	137.3
[M+NH4]+	203.07123	158.7
[M+K]+	224.00057	141.8
[M+H-H2O]+	168.03467	134.8
[M+HCOO]-	230.03561	152.3
[M+CH3COO]-	244.05126	183.4
[M+Na-2H]-	206.01208	142.6
[M]+	185.03686	141.7
[M]-	185.03796	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe