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

0
References

4
Patents

173.01466 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.021936 135.6
[M+Na]+ 196.003878 143.4
[M-H]- 172.007384 136.7
[M+NH4]+ 191.048483 156.1
[M+K]+ 211.977818 141.3
[M+H-H2O]+ 156.011920 130.3
[M+HCOO]- 218.012861 151.1
[M+CH3COO]- 232.028511 171.0
[M+Na-2H]- 193.989326 135.3
[M]+ 173.01411142 135.0
[M]- 173.01520858 135.0
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