CID 2733223

1,3-oxazolidine-2-thione

Structural Information

Molecular Formula
C3H5NOS
SMILES
C1COC(=S)N1
InChI
InChI=1S/C3H5NOS/c6-3-4-1-2-5-3/h1-2H2,(H,4,6)
InChIKey
UMURLIQHQSKULR-UHFFFAOYSA-N
Compound name
1,3-oxazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

3632
Patents

103.009186 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.016462 116.5
[M+Na]+ 125.998404 124.8
[M-H]- 102.001910 118.3
[M+NH4]+ 121.043009 138.6
[M+K]+ 141.972344 124.2
[M+H-H2O]+ 86.006446 111.7
[M+HCOO]- 148.007387 132.5
[M+CH3COO]- 162.023037 159.0
[M+Na-2H]- 123.983852 120.2
[M]+ 103.00863742 114.3
[M]- 103.00973458 114.3
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

patents stripe