CID 312720

Pyrrolidine, 1,1'-dithiobis-

Structural Information

Molecular Formula

C₈H₁₆N₂S₂

SMILES

C1CCN(C1)SSN2CCCC2

InChI

InChI=1S/C8H16N2S2/c1-2-6-9(5-1)11-12-10-7-3-4-8-10/h1-8H2

InChIKey

CZXYYPCKMLAKAI-UHFFFAOYSA-N

Compound name

1-(pyrrolidin-1-yldisulfanyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 204.07549 Da
Monoisotopic Mass: 2.3
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]+	205.08277	144.3
[M+Na]+	227.06471	151.2
[M-H]-	203.06821	147.8
[M+NH4]+	222.10931	165.1
[M+K]+	243.03865	149.2
[M+H-H2O]+	187.07275	138.1
[M+HCOO]-	249.07369	153.9
[M+CH3COO]-	263.08934	155.9
[M+Na-2H]-	225.05016	140.5
[M]+	204.07494	142.4
[M]-	204.07604	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe