CID 3006141

4-ethyl-2-oxazolidinethione

Structural Information

Molecular Formula
C5H9NOS
SMILES
CCC1COC(=S)N1
InChI
InChI=1S/C5H9NOS/c1-2-4-3-7-5(8)6-4/h4H,2-3H2,1H3,(H,6,8)
InChIKey
IUQNMFMYZBLMEV-UHFFFAOYSA-N
Compound name
4-ethyl-1,3-oxazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

131.04048 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.04776 125.1
[M+Na]+ 154.02970 133.4
[M-H]- 130.03320 126.9
[M+NH4]+ 149.07430 146.4
[M+K]+ 170.00364 132.3
[M+H-H2O]+ 114.03774 120.3
[M+HCOO]- 176.03868 140.4
[M+CH3COO]- 190.05433 166.1
[M+Na-2H]- 152.01515 127.1
[M]+ 131.03993 124.0
[M]- 131.04103 124.0
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