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 121.1
[M+Na]+ 172.00388 129.9
[M-H]- 148.00738 123.0
[M+NH4]+ 167.04848 138.2
[M+K]+ 187.97782 131.1
[M+H-H2O]+ 132.01192 113.4
[M+HCOO]- 194.01286 136.6
[M+CH3COO]- 208.02851 171.9
[M+Na-2H]- 169.98933 126.4
[M]+ 149.01411 131.6
[M]- 149.01521 131.6
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.