CID 437876

2458-50-6

Structural Information

Molecular Formula

C₄H₁₂N₂O₂S₂

SMILES

C(CSS(=O)(=O)CCN)N

InChI

InChI=1S/C4H12N2O2S2/c5-1-3-9-10(7,8)4-2-6/h1-6H2

InChIKey

WCKKVBDZUVPNNY-UHFFFAOYSA-N

Compound name

2-(2-aminoethylsulfonylsulfanyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 184.03403 Da
Monoisotopic Mass: -1.8
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]+	185.04131	135.8
[M+Na]+	207.02325	142.2
[M-H]-	183.02675	134.4
[M+NH4]+	202.06785	154.6
[M+K]+	222.99719	138.1
[M+H-H2O]+	167.03129	129.8
[M+HCOO]-	229.03223	148.2
[M+CH3COO]-	243.04788	180.9
[M+Na-2H]-	205.00870	137.2
[M]+	184.03348	135.8
[M]-	184.03458	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe