CID 593626

27653-75-4

Structural Information

Molecular Formula

C₈H₁₁NO₃S

SMILES

CCOC(=O)C=C1N(C(=O)CS1)C

InChI

InChI=1S/C8H11NO3S/c1-3-12-8(11)4-7-9(2)6(10)5-13-7/h4H,3,5H2,1-2H3

InChIKey

GDGPPJTYZHIUCZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 201.04596 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	202.05324	142.9
[M+Na]+	224.03518	151.2
[M-H]-	200.03868	145.4
[M+NH4]+	219.07978	163.4
[M+K]+	240.00912	149.5
[M+H-H2O]+	184.04322	137.4
[M+HCOO]-	246.04416	159.3
[M+CH3COO]-	260.05981	180.8
[M+Na-2H]-	222.02063	141.6
[M]+	201.04541	145.3
[M]-	201.04651	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe