CID 56078

90587-64-7

Structural Information

Molecular Formula

SMILES

C(CSC(=O)CCl)N

InChI

InChI=1S/C4H8ClNOS/c5-3-4(7)8-2-1-6/h1-3,6H2

InChIKey

AOYHVHHQAGFAIK-UHFFFAOYSA-N

Compound name

S-(2-aminoethyl) 2-chloroethanethioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.00151 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]+	154.00879	129.1
[M+Na]+	175.99073	138.8
[M+NH4]+	171.03533	137.7
[M+K]+	191.96467	131.4
[M-H]-	151.99423	129.1
[M+Na-2H]-	173.97618	132.1
[M]+	153.00096	131.0
[M]-	153.00206	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.