CID 86111

109176-12-7

Structural Information

Molecular Formula

C₁₁H₁₈O₃

SMILES

CCCC1CC(=C(O1)C)C(=O)OCC

InChI

InChI=1S/C11H18O3/c1-4-6-9-7-10(8(3)14-9)11(12)13-5-2/h9H,4-7H2,1-3H3

InChIKey

PDHWNPMFVJZGPL-UHFFFAOYSA-N

Compound name

ethyl 5-methyl-2-propyl-2,3-dihydrofuran-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 198.1256 Da
Monoisotopic Mass: 2.4
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]+	199.13288	144.9
[M+Na]+	221.11482	155.0
[M+NH4]+	216.15942	152.2
[M+K]+	237.08876	151.9
[M-H]-	197.11832	146.5
[M+Na-2H]-	219.10027	147.6
[M]+	198.12505	146.6
[M]-	198.12615	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe