CID 6397706

2-[(2-aminoethyl)amino]ethane-1-thiol

Structural Information

Molecular Formula

C₄H₁₂N₂S

SMILES

C(CNCCS)N

InChI

InChI=1S/C4H12N2S/c5-1-2-6-3-4-7/h6-7H,1-5H2

InChIKey

ISADKHQORCWQLD-UHFFFAOYSA-N

Compound name

2-(2-aminoethylamino)ethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 144
Patents: 120.07212 Da
Monoisotopic Mass: -0.9
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	122.9
[M+Na]+	143.06134	129.2
[M-H]-	119.06484	122.8
[M+NH4]+	138.10594	145.0
[M+K]+	159.03528	127.7
[M+H-H2O]+	103.06938	117.5
[M+HCOO]-	165.07032	143.0
[M+CH3COO]-	179.08597	174.0
[M+Na-2H]-	141.04679	126.9
[M]+	120.07157	122.7
[M]-	120.07267	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe