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: 2
References: 6
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]+	202.053236	142.9
[M+Na]+	224.035178	151.2
[M-H]-	200.038684	145.4
[M+NH4]+	219.079783	163.4
[M+K]+	240.009118	149.5
[M+H-H2O]+	184.043220	137.4
[M+HCOO]-	246.044161	159.3
[M+CH3COO]-	260.059811	180.8
[M+Na-2H]-	222.020626	141.6
[M]+	201.04541142	145.3
[M]-	201.04650858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe