CID 13325830

3324-15-0

Structural Information

Molecular Formula
C5H7NO2S
SMILES
CC1(C(=O)NC(=O)S1)C
InChI
InChI=1S/C5H7NO2S/c1-5(2)3(7)6-4(8)9-5/h1-2H3,(H,6,7,8)
InChIKey
UWXNEBLQDNYFMR-UHFFFAOYSA-N
Compound name
5,5-dimethyl-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

145.01974 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.02702 125.5
[M+Na]+ 168.00896 135.5
[M-H]- 144.01246 127.3
[M+NH4]+ 163.05356 149.6
[M+K]+ 183.98290 133.5
[M+H-H2O]+ 128.01700 121.9
[M+HCOO]- 190.01794 142.0
[M+CH3COO]- 204.03359 168.0
[M+Na-2H]- 165.99441 127.9
[M]+ 145.01919 125.5
[M]- 145.02029 125.5
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