CID 18381305

N-{2-[(2-aminoethyl)disulfanyl]ethyl}acetamide dihydrochloride

Structural Information

Molecular Formula

C₆H₁₄N₂OS₂

SMILES

CC(=O)NCCSSCCN

InChI

InChI=1S/C6H14N2OS2/c1-6(9)8-3-5-11-10-4-2-7/h2-5,7H2,1H3,(H,8,9)

InChIKey

SDYVWPDOURNSRC-UHFFFAOYSA-N

Compound name

N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 194.05475 Da
Monoisotopic Mass: -0.7
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]+	195.06203	139.3
[M+Na]+	217.04397	144.4
[M-H]-	193.04747	138.2
[M+NH4]+	212.08857	158.1
[M+K]+	233.01791	140.6
[M+H-H2O]+	177.05201	132.8
[M+HCOO]-	239.05295	151.8
[M+CH3COO]-	253.06860	186.1
[M+Na-2H]-	215.02942	139.1
[M]+	194.05420	140.3
[M]-	194.05530	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe