CID 9989409

4,4-dimethyl-1lambda6,2-thiazolidine-1,1-dione

Structural Information

Molecular Formula
C5H11NO2S
SMILES
CC1(CNS(=O)(=O)C1)C
InChI
InChI=1S/C5H11NO2S/c1-5(2)3-6-9(7,8)4-5/h6H,3-4H2,1-2H3
InChIKey
BEPDEVWAYTZHIB-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1,2-thiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

149.05106 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05834 125.3
[M+Na]+ 172.04028 135.2
[M-H]- 148.04378 126.9
[M+NH4]+ 167.08488 151.0
[M+K]+ 188.01422 133.4
[M+H-H2O]+ 132.04832 122.3
[M+HCOO]- 194.04926 141.7
[M+CH3COO]- 208.06491 166.9
[M+Na-2H]- 170.02573 129.8
[M]+ 149.05051 125.3
[M]- 149.05161 125.3
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

patents stripe