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]+ 164.037596 126.1
[M+Na]+ 186.019538 136.9
[M-H]- 162.023044 128.0
[M+NH4]+ 181.064143 151.3
[M+K]+ 201.993478 135.0
[M+H-H2O]+ 146.027580 123.5
[M+HCOO]- 208.028521 142.8
[M+CH3COO]- 222.044171 169.2
[M+Na-2H]- 184.004986 130.3
[M]+ 163.02977142 127.3
[M]- 163.03086858 127.3
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.