CID 51089

70548-53-7

Structural Information

Molecular Formula

C₆H₁₆N₂S

SMILES

C(CCN)CC(CS)N

InChI

InChI=1S/C6H16N2S/c7-4-2-1-3-6(8)5-9/h6,9H,1-5,7-8H2

InChIKey

ONDNDTMAYANFKN-UHFFFAOYSA-N

Compound name

2,6-diaminohexane-1-thiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 66
Patents: 148.10342 Da
Monoisotopic Mass: -0.2
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	132.4
[M+Na]+	171.09264	139.7
[M+NH4]+	166.13724	140.6
[M+K]+	187.06658	133.0
[M-H]-	147.09614	133.1
[M+Na-2H]-	169.07809	134.7
[M]+	148.10287	133.7
[M]-	148.10397	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe