CID 428291

792132-38-8

Structural Information

Molecular Formula

C₆H₁₃NO₂S

SMILES

CCOC(=O)C(CSC)N

InChI

InChI=1S/C6H13NO2S/c1-3-9-6(8)5(7)4-10-2/h5H,3-4,7H2,1-2H3

InChIKey

SOUTVWYPVSFHNV-UHFFFAOYSA-N

Compound name

ethyl 2-amino-3-methylsulfanylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 163.0667 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]+	164.07398	135.8
[M+Na]+	186.05592	143.4
[M+NH4]+	181.10052	143.1
[M+K]+	202.02986	137.7
[M-H]-	162.05942	134.9
[M+Na-2H]-	184.04137	137.4
[M]+	163.06615	136.7
[M]-	163.06725	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe