CID 165768424

2-amino-n-(2-hydroxyethyl)-n-methyl-3-(methylsulfanyl)propanamide hydrochloride

Structural Information

Molecular Formula

C₇H₁₆N₂O₂S

SMILES

CN(CCO)C(=O)C(CSC)N

InChI

InChI=1S/C7H16N2O2S/c1-9(3-4-10)7(11)6(8)5-12-2/h6,10H,3-5,8H2,1-2H3

InChIKey

CWUWXRNESJCPDC-UHFFFAOYSA-N

Compound name

2-amino-N-(2-hydroxyethyl)-N-methyl-3-methylsulfanylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.09325 Da
Monoisotopic Mass: -1.2
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]+	193.100526	144.3
[M+Na]+	215.082468	148.5
[M-H]-	191.085974	143.7
[M+NH4]+	210.127073	163.1
[M+K]+	231.056408	148.0
[M+H-H2O]+	175.090510	138.0
[M+HCOO]-	237.091451	160.9
[M+CH3COO]-	251.107101	188.1
[M+Na-2H]-	213.067916	143.3
[M]+	192.09270142	145.3
[M]-	192.09379858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.