CID 202488

Triethylamine, 2,2'-dichloro-2''-ethoxy-, hydrochloride

Structural Information

Molecular Formula

C₈H₁₇Cl₂NO

SMILES

CCOCCN(CCCl)CCCl

InChI

InChI=1S/C8H17Cl2NO/c1-2-12-8-7-11(5-3-9)6-4-10/h2-8H2,1H3

InChIKey

GWVHJFSXLMHBMO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 213.06873 Da
Monoisotopic Mass: 1.7
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]+	214.07601	147.0
[M+Na]+	236.05795	153.8
[M-H]-	212.06145	147.4
[M+NH4]+	231.10255	167.4
[M+K]+	252.03189	150.8
[M+H-H2O]+	196.06599	143.1
[M+HCOO]-	258.06693	162.2
[M+CH3COO]-	272.08258	192.0
[M+Na-2H]-	234.04340	151.1
[M]+	213.06818	153.4
[M]-	213.06928	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe