CID 106203

N-methoxycarbonylrhodanine

Structural Information

Molecular Formula
C5H5NO3S2
SMILES
COC(=O)N1C(=O)CSC1=S
InChI
InChI=1S/C5H5NO3S2/c1-9-4(8)6-3(7)2-11-5(6)10/h2H2,1H3
InChIKey
QMVFFYYZJNQAHP-UHFFFAOYSA-N
Compound name
methyl 4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.97108 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.97836 141.3
[M+Na]+ 213.96030 149.5
[M+NH4]+ 209.00490 148.6
[M+K]+ 229.93424 143.6
[M-H]- 189.96380 140.6
[M+Na-2H]- 211.94575 142.0
[M]+ 190.97053 142.8
[M]- 190.97163 142.8
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

No patent data available for this compound.