CID 10329617

1026060-80-9

Structural Information

Molecular Formula

C₆H₁₃NO₂S

SMILES

CNC(=O)C(CCSC)O

InChI

InChI=1S/C6H13NO2S/c1-7-6(9)5(8)3-4-10-2/h5,8H,3-4H2,1-2H3,(H,7,9)

InChIKey

RTZNEWYJXRCWJR-UHFFFAOYSA-N

Compound name

2-hydroxy-N-methyl-4-methylsulfanylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 163.0667 Da
Monoisotopic Mass: -0.1
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]+	164.073976	135.6
[M+Na]+	186.055918	141.1
[M-H]-	162.059424	134.5
[M+NH4]+	181.100523	155.7
[M+K]+	202.029858	139.9
[M+H-H2O]+	146.063960	130.4
[M+HCOO]-	208.064901	151.8
[M+CH3COO]-	222.080551	177.2
[M+Na-2H]-	184.041366	136.5
[M]+	163.06615142	136.9
[M]-	163.06724858	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe