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 126.1
[M+Na]+ 186.01954 136.9
[M-H]- 162.02304 128.0
[M+NH4]+ 181.06414 151.3
[M+K]+ 201.99348 135.0
[M+H-H2O]+ 146.02758 123.5
[M+HCOO]- 208.02852 142.8
[M+CH3COO]- 222.04417 169.2
[M+Na-2H]- 184.00499 130.3
[M]+ 163.02977 127.3
[M]- 163.03087 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.