CID 211644

23509-63-9

Structural Information

Molecular Formula
C8H13NO3S2
SMILES
CCOC(=O)C1C(N(C(=S)S1)C)(C)O
InChI
InChI=1S/C8H13NO3S2/c1-4-12-6(10)5-8(2,11)9(3)7(13)14-5/h5,11H,4H2,1-3H3
InChIKey
DOJFITTUVHSVNO-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-3,4-dimethyl-2-sulfanylidene-1,3-thiazolidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.03369 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.04097 146.5
[M+Na]+ 258.02291 155.1
[M-H]- 234.02641 147.5
[M+NH4]+ 253.06751 167.1
[M+K]+ 273.99685 152.0
[M+H-H2O]+ 218.03095 142.8
[M+HCOO]- 280.03189 155.3
[M+CH3COO]- 294.04754 185.4
[M+Na-2H]- 256.00836 144.4
[M]+ 235.03314 149.6
[M]- 235.03424 149.6
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.