CID 599229

Methyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate

Structural Information

Molecular Formula
C6H7NO3S
SMILES
COC(=O)C=C1NC(=O)CS1
InChI
InChI=1S/C6H7NO3S/c1-10-6(9)2-5-7-4(8)3-11-5/h2H,3H2,1H3,(H,7,8)
InChIKey
YERBFSSSKXIGIJ-UHFFFAOYSA-N
Compound name
methyl 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

173.01466 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.02194 137.9
[M+Na]+ 196.00388 145.8
[M+NH4]+ 191.04848 144.5
[M+K]+ 211.97782 141.7
[M-H]- 172.00738 136.3
[M+Na-2H]- 193.98933 139.1
[M]+ 173.01411 138.5
[M]- 173.01521 138.5
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