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

2
Annotation Hits: 0
References: 13
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]+	199.132876	145.0
[M+Na]+	221.114818	152.4
[M-H]-	197.118324	149.2
[M+NH4]+	216.159423	165.3
[M+K]+	237.088758	152.6
[M+H-H2O]+	181.122860	139.9
[M+HCOO]-	243.123801	167.1
[M+CH3COO]-	257.139451	185.4
[M+Na-2H]-	219.100266	147.4
[M]+	198.12505142	149.2
[M]-	198.12614858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe