CID 58997709

52466-50-9

Structural Information

Molecular Formula

C₁₁H₁₆O₄

SMILES

CCOC1=CC(=O)C(CC1)C(=O)OCC

InChI

InChI=1S/C11H16O4/c1-3-14-8-5-6-9(10(12)7-8)11(13)15-4-2/h7,9H,3-6H2,1-2H3

InChIKey

DQZJBCFOPNAVTB-UHFFFAOYSA-N

Compound name

ethyl 4-ethoxy-2-oxocyclohex-3-ene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 212.10486 Da
Monoisotopic Mass: 1.4
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]+	213.11214	146.4
[M+Na]+	235.09408	156.8
[M+NH4]+	230.13868	153.3
[M+K]+	251.06802	151.8
[M-H]-	211.09758	146.8
[M+Na-2H]-	233.07953	150.1
[M]+	212.10431	147.7
[M]-	212.10541	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe