CID 119719

N,n-bis(2-chloroethyl)-2-methoxyethylamine hydrochloride

Structural Information

Molecular Formula

C₇H₁₅Cl₂NO

SMILES

COCCN(CCCl)CCCl

InChI

InChI=1S/C7H15Cl2NO/c1-11-7-6-10(4-2-8)5-3-9/h2-7H2,1H3

InChIKey

ILEQWUZHPNITDE-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)-2-methoxyethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 20
Patents: 199.05307 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]+	200.06035	142.3
[M+Na]+	222.04229	149.5
[M-H]-	198.04579	142.9
[M+NH4]+	217.08689	163.3
[M+K]+	238.01623	146.8
[M+H-H2O]+	182.05033	138.7
[M+HCOO]-	244.05127	157.9
[M+CH3COO]-	258.06692	189.1
[M+Na-2H]-	220.02774	147.0
[M]+	199.05252	148.4
[M]-	199.05362	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe