CID 2778975

4,4-dimethyloxazolidine-2-thione

Structural Information

Molecular Formula
C5H9NOS
SMILES
CC1(COC(=S)N1)C
InChI
InChI=1S/C5H9NOS/c1-5(2)3-7-4(8)6-5/h3H2,1-2H3,(H,6,8)
InChIKey
VIMMIOUDVZQBAK-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1,3-oxazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

131.04048 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.04776 123.0
[M+Na]+ 154.02970 132.1
[M-H]- 130.03320 125.1
[M+NH4]+ 149.07430 146.3
[M+K]+ 170.00364 131.3
[M+H-H2O]+ 114.03774 119.2
[M+HCOO]- 176.03868 138.3
[M+CH3COO]- 190.05433 165.7
[M+Na-2H]- 152.01515 126.7
[M]+ 131.03993 122.3
[M]- 131.04103 122.3
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