CID 434079

90993-34-3

Structural Information

Molecular Formula

C₆H₁₆N₂O₂S₂

SMILES

CNCCSS(=O)(=O)CCNC

InChI

InChI=1S/C6H16N2O2S2/c1-7-3-5-11-12(9,10)6-4-8-2/h7-8H,3-6H2,1-2H3

InChIKey

OMFGLVLQXPQVID-UHFFFAOYSA-N

Compound name

N-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 212.06532 Da
Monoisotopic Mass: -0.8
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]+	213.07260	144.0
[M+Na]+	235.05454	149.6
[M-H]-	211.05804	143.4
[M+NH4]+	230.09914	162.3
[M+K]+	251.02848	145.8
[M+H-H2O]+	195.06258	137.7
[M+HCOO]-	257.06352	157.1
[M+CH3COO]-	271.07917	188.1
[M+Na-2H]-	233.03999	146.6
[M]+	212.06477	146.8
[M]-	212.06587	146.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.