CID 128546

106139-15-5

Structural Information

Molecular Formula

C₇H₁₀N₂S₂

SMILES

C1=CC=NC(=C1)SSCCN

InChI

InChI=1S/C7H10N2S2/c8-4-6-10-11-7-3-1-2-5-9-7/h1-3,5H,4,6,8H2

InChIKey

WGGFHAVVTPGHRD-UHFFFAOYSA-N

Compound name

2-(pyridin-2-yldisulfanyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 24
References: 1344
Patents: 186.02853 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]+	187.035806	133.1
[M+Na]+	209.017748	141.1
[M-H]-	185.021254	134.6
[M+NH4]+	204.062353	151.7
[M+K]+	224.991688	136.2
[M+H-H2O]+	169.025790	126.6
[M+HCOO]-	231.026731	146.3
[M+CH3COO]-	245.042381	180.9
[M+Na-2H]-	207.003196	136.0
[M]+	186.02798142	133.8
[M]-	186.02907858	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe