CID 70096

871-76-1

Structural Information

Molecular Formula

C₄H₁₂N₂S

SMILES

C(CSCCN)N

InChI

InChI=1S/C4H12N2S/c5-1-3-7-4-2-6/h1-6H2

InChIKey

JONTXEXBTWSUKE-UHFFFAOYSA-N

Compound name

2-(2-aminoethylsulfanyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1427
Patents: 120.07212 Da
Monoisotopic Mass: -1.0
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]+	121.07940	123.1
[M+Na]+	143.06134	129.4
[M-H]-	119.06484	122.4
[M+NH4]+	138.10594	144.9
[M+K]+	159.03528	127.5
[M+H-H2O]+	103.06938	117.6
[M+HCOO]-	165.07032	142.5
[M+CH3COO]-	179.08597	173.3
[M+Na-2H]-	141.04679	126.0
[M]+	120.07157	121.8
[M]-	120.07267	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe