CID 211753

Ethanethiol, 2-((2-(ethylamino)ethyl)amino)-, dihydrochloride

Structural Information

Molecular Formula

C₆H₁₆N₂S

SMILES

CCNCCNCCS

InChI

InChI=1S/C6H16N2S/c1-2-7-3-4-8-5-6-9/h7-9H,2-6H2,1H3

InChIKey

SEPUJPKTDDDYEH-UHFFFAOYSA-N

Compound name

2-[2-(ethylamino)ethylamino]ethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 148.10342 Da
Monoisotopic Mass: 0.1
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]+	149.11070	132.1
[M+Na]+	171.09264	140.3
[M+NH4]+	166.13724	140.7
[M+K]+	187.06658	132.3
[M-H]-	147.09614	133.4
[M+Na-2H]-	169.07809	135.7
[M]+	148.10287	133.8
[M]-	148.10397	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe