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: 109
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	137.7
[M+Na]+	220.02589	143.6
[M-H]-	196.02939	138.1
[M+NH4]+	215.07049	157.3
[M+K]+	235.99983	139.5
[M+H-H2O]+	180.03393	131.2
[M+HCOO]-	242.03487	144.5
[M+CH3COO]-	256.05052	190.1
[M+Na-2H]-	218.01134	136.8
[M]+	197.03612	140.8
[M]-	197.03722	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe