CID 31560

22907-30-8

Structural Information

Molecular Formula

C₇H₁₈N₂S₂

SMILES

CC(C)(SCCN)SCCN

InChI

InChI=1S/C7H18N2S2/c1-7(2,10-5-3-8)11-6-4-9/h3-6,8-9H2,1-2H3

InChIKey

XUADAJPQEPPSHU-UHFFFAOYSA-N

Compound name

2-[2-(2-aminoethylsulfanyl)propan-2-ylsulfanyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 194.09114 Da
Monoisotopic Mass: 0.4
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]+	195.09842	141.6
[M+Na]+	217.08036	146.7
[M-H]-	193.08386	140.0
[M+NH4]+	212.12496	160.4
[M+K]+	233.05430	142.4
[M+H-H2O]+	177.08840	135.5
[M+HCOO]-	239.08934	152.4
[M+CH3COO]-	253.10499	187.5
[M+Na-2H]-	215.06581	141.5
[M]+	194.09059	141.4
[M]-	194.09169	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe