CID 193295

Homocystamine dihydrochloride

Structural Information

Molecular Formula

C₆H₁₆N₂S₂

SMILES

C(CN)CSSCCCN

InChI

InChI=1S/C6H16N2S2/c7-3-1-5-9-10-6-2-4-8/h1-8H2

InChIKey

RSNVLCAXJNGKPQ-UHFFFAOYSA-N

Compound name

3-(3-aminopropyldisulfanyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 333
Patents: 180.07549 Da
Monoisotopic Mass: -0.3
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]+	181.08277	136.0
[M+Na]+	203.06471	142.7
[M+NH4]+	198.10931	144.4
[M+K]+	219.03865	133.7
[M-H]-	179.06821	137.0
[M+Na-2H]-	201.05016	137.7
[M]+	180.07494	137.8
[M]-	180.07604	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe