CID 20521802

2-((2-(ethylthio)ethyl)thio)amine

Structural Information

Molecular Formula

C₆H₁₅NS₂

SMILES

CCSCCSCCN

InChI

InChI=1S/C6H15NS2/c1-2-8-5-6-9-4-3-7/h2-7H2,1H3

InChIKey

JOSVHNVOXNQDTB-UHFFFAOYSA-N

Compound name

2-(2-ethylsulfanylethylsulfanyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 165.06459 Da
Monoisotopic Mass: 1.0
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]+	166.071866	132.2
[M+Na]+	188.053808	138.4
[M-H]-	164.057314	131.5
[M+NH4]+	183.098413	152.9
[M+K]+	204.027748	134.8
[M+H-H2O]+	148.061850	126.5
[M+HCOO]-	210.062791	144.6
[M+CH3COO]-	224.078441	180.2
[M+Na-2H]-	186.039256	132.4
[M]+	165.06404142	134.1
[M]-	165.06513858	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe