CID 6444352

Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetate

Structural Information

Molecular Formula
C9H13NO3S
SMILES
CCN\1C(=O)CS/C1=C\C(=O)OCC
InChI
InChI=1S/C9H13NO3S/c1-3-10-7(11)6-14-8(10)5-9(12)13-4-2/h5H,3-4,6H2,1-2H3/b8-5-
InChIKey
JYTPTLJKVSVQDW-YVMONPNESA-N
Compound name
ethyl (2Z)-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

215.06161 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06889 147.3
[M+Na]+ 238.05083 155.2
[M-H]- 214.05433 149.7
[M+NH4]+ 233.09543 167.3
[M+K]+ 254.02477 153.2
[M+H-H2O]+ 198.05887 141.7
[M+HCOO]- 260.05981 163.4
[M+CH3COO]- 274.07546 183.8
[M+Na-2H]- 236.03628 145.6
[M]+ 215.06106 150.2
[M]- 215.06216 150.2
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