CID 3021540

89692-13-7

Structural Information

Molecular Formula

C₆H₁₅NS₃

SMILES

C(CS)N(CCS)CCS

InChI

InChI=1S/C6H15NS3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2

InChIKey

CSDZDBQCGPJRDC-UHFFFAOYSA-N

Compound name

2-[bis(2-sulfanylethyl)amino]ethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 101
Patents: 197.03667 Da
Monoisotopic Mass: 1.1
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]+	198.04395	138.9
[M+Na]+	220.02589	146.7
[M+NH4]+	215.07049	148.2
[M+K]+	235.99983	136.0
[M-H]-	196.02939	140.6
[M+Na-2H]-	218.01134	140.6
[M]+	197.03612	141.7
[M]-	197.03722	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe