CID 12225145

4,4-dimethyl-1,2-thiazetidine-1,1,3-trione

Structural Information

Molecular Formula
C4H7NO3S
SMILES
CC1(C(=O)NS1(=O)=O)C
InChI
InChI=1S/C4H7NO3S/c1-4(2)3(6)5-9(4,7)8/h1-2H3,(H,5,6)
InChIKey
HWYSTNRVRZHFDU-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1,1-dioxothiazetidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.01466 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.02194 126.2
[M+Na]+ 172.00388 131.8
[M+NH4]+ 167.04848 131.8
[M+K]+ 187.97782 125.0
[M-H]- 148.00738 122.3
[M+Na-2H]- 169.98933 129.7
[M]+ 149.01411 125.2
[M]- 149.01521 125.2
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.