CID 60732553

1024611-24-2

Structural Information

Molecular Formula

C₁₀H₁₀O₄S

SMILES

CCOC(=O)C(=O)CC(=O)C1=CSC=C1

InChI

InChI=1S/C10H10O4S/c1-2-14-10(13)9(12)5-8(11)7-3-4-15-6-7/h3-4,6H,2,5H2,1H3

InChIKey

NOLPEOHACKQESP-UHFFFAOYSA-N

Compound name

ethyl 2,4-dioxo-4-thiophen-3-ylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 226.02998 Da
Monoisotopic Mass: 1.6
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]+	227.03726	150.6
[M+Na]+	249.01920	158.8
[M+NH4]+	244.06380	157.0
[M+K]+	264.99314	154.9
[M-H]-	225.02270	149.7
[M+Na-2H]-	247.00465	152.9
[M]+	226.02943	151.5
[M]-	226.03053	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe