CID 117256

3-amino-5-((methylthio)methyl)oxazolidin-2-one

Structural Information

Molecular Formula

C₅H₁₀N₂O₂S

SMILES

CSCC1CN(C(=O)O1)N

InChI

InChI=1S/C5H10N2O2S/c1-10-3-4-2-7(6)5(8)9-4/h4H,2-3,6H2,1H3

InChIKey

GDNCNUUIRLOZBT-UHFFFAOYSA-N

Compound name

3-amino-5-(methylsulfanylmethyl)-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 162.0463 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]+	163.05358	131.9
[M+Na]+	185.03552	140.4
[M-H]-	161.03902	134.8
[M+NH4]+	180.08012	152.2
[M+K]+	201.00946	139.9
[M+H-H2O]+	145.04356	126.4
[M+HCOO]-	207.04450	149.2
[M+CH3COO]-	221.06015	176.1
[M+Na-2H]-	183.02097	133.4
[M]+	162.04575	132.7
[M]-	162.04685	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe