CID 3088793

2-(2-pyridylethyl)disulphide dihydrochloride

Structural Information

Molecular Formula

C₁₄H₁₆N₂S₂

SMILES

C1=CC=NC(=C1)CCSSCCC2=CC=CC=N2

InChI

InChI=1S/C14H16N2S2/c1-3-9-15-13(5-1)7-11-17-18-12-8-14-6-2-4-10-16-14/h1-6,9-10H,7-8,11-12H2

InChIKey

WTCYBKHKWMXJOG-UHFFFAOYSA-N

Compound name

2-[2-(2-pyridin-2-ylethyldisulfanyl)ethyl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 276.0755 Da
Monoisotopic Mass: 2.8
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]+	277.08278	157.1
[M+Na]+	299.06472	171.4
[M+NH4]+	294.10932	166.6
[M+K]+	315.03866	158.5
[M-H]-	275.06822	161.9
[M+Na-2H]-	297.05017	166.1
[M]+	276.07495	161.6
[M]-	276.07605	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe