CID 10313220

49540-21-8

Structural Information

Molecular Formula

C₅H₁₁NO₂S

SMILES

CSCCC(C(=O)N)O

InChI

InChI=1S/C5H11NO2S/c1-9-3-2-4(7)5(6)8/h4,7H,2-3H2,1H3,(H2,6,8)

InChIKey

INTUDBWOILOBCE-UHFFFAOYSA-N

Compound name

2-hydroxy-4-methylsulfanylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 332
Patents: 149.05106 Da
Monoisotopic Mass: -0.5
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]+	150.058336	131.3
[M+Na]+	172.040278	137.2
[M-H]-	148.043784	129.8
[M+NH4]+	167.084883	151.6
[M+K]+	188.014218	135.8
[M+H-H2O]+	132.048320	126.2
[M+HCOO]-	194.049261	147.2
[M+CH3COO]-	208.064911	174.3
[M+Na-2H]-	170.025726	131.7
[M]+	149.05051142	131.3
[M]-	149.05160858	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe