CID 137838539

2095410-10-7

Structural Information

Molecular Formula
C5H9NO3S
SMILES
CC1(CS(=O)(=O)NC1=O)C
InChI
InChI=1S/C5H9NO3S/c1-5(2)3-10(8,9)6-4(5)7/h3H2,1-2H3,(H,6,7)
InChIKey
PIBLBEYDBHSBGK-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.03032 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03760 132.9
[M+Na]+ 186.01954 141.9
[M+NH4]+ 181.06414 142.6
[M+K]+ 201.99348 134.2
[M-H]- 162.02304 131.6
[M+Na-2H]- 184.00499 138.0
[M]+ 163.02977 134.2
[M]- 163.03087 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.