CID 217658

39137-27-4

Structural Information

Molecular Formula
C6H7NO2S
SMILES
C=CCN1C(=O)CSC1=O
InChI
InChI=1S/C6H7NO2S/c1-2-3-7-5(8)4-10-6(7)9/h2H,1,3-4H2
InChIKey
LCUIYFVDGMBHBA-UHFFFAOYSA-N
Compound name
3-prop-2-enyl-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

157.01974 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.02702 130.2
[M+Na]+ 180.00896 139.7
[M-H]- 156.01246 133.0
[M+NH4]+ 175.05356 152.4
[M+K]+ 195.98290 137.5
[M+H-H2O]+ 140.01700 125.1
[M+HCOO]- 202.01794 148.0
[M+CH3COO]- 216.03359 173.2
[M+Na-2H]- 177.99441 130.8
[M]+ 157.01919 131.3
[M]- 157.02029 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe