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 135.6
[M+Na]+ 196.00388 143.4
[M-H]- 172.00738 136.7
[M+NH4]+ 191.04848 156.1
[M+K]+ 211.97782 141.3
[M+H-H2O]+ 156.01192 130.3
[M+HCOO]- 218.01286 151.1
[M+CH3COO]- 232.02851 171.0
[M+Na-2H]- 193.98933 135.3
[M]+ 173.01411 135.0
[M]- 173.01521 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