CID 165771305

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

Structural Information

Molecular Formula

C₈H₁₈N₂O₂S

SMILES

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

InChI

InChI=1S/C8H18N2O2S/c1-10(4-3-5-11)8(12)7(9)6-13-2/h7,11H,3-6,9H2,1-2H3

InChIKey

IVLKGSWIHQXGPZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.1089 Da
Monoisotopic Mass: -0.8
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]+	207.116176	148.7
[M+Na]+	229.098118	152.5
[M-H]-	205.101624	147.9
[M+NH4]+	224.142723	166.9
[M+K]+	245.072058	151.8
[M+H-H2O]+	189.106160	142.2
[M+HCOO]-	251.107101	165.0
[M+CH3COO]-	265.122751	191.1
[M+Na-2H]-	227.083566	147.3
[M]+	206.10835142	150.1
[M]-	206.10944858	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.