CID 504008

4-amino-2-(methylsulfanylmethyl)isoxazolidin-3-one

Structural Information

Molecular Formula
C5H10N2O2S
SMILES
CSCN1C(=O)C(CO1)N
InChI
InChI=1S/C5H10N2O2S/c1-10-3-7-5(8)4(6)2-9-7/h4H,2-3,6H2,1H3
InChIKey
BXZYFXTUIFGQTN-UHFFFAOYSA-N
Compound name
4-amino-2-(methylsulfanylmethyl)-1,2-oxazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

162.0463 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.