CID 113476

3-furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

CCC1CC(=C(O1)C)C(=O)OCC

InChI

InChI=1S/C10H16O3/c1-4-8-6-9(7(3)13-8)10(11)12-5-2/h8H,4-6H2,1-3H3

InChIKey

AQGIXJDBFOHCNW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 13
Patents: 184.10994 Da
Monoisotopic Mass: 2.1
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]+	185.117216	140.2
[M+Na]+	207.099158	148.0
[M-H]-	183.102664	144.6
[M+NH4]+	202.143763	161.0
[M+K]+	223.073098	148.5
[M+H-H2O]+	167.107200	135.3
[M+HCOO]-	229.108141	162.6
[M+CH3COO]-	243.123791	182.4
[M+Na-2H]-	205.084606	143.1
[M]+	184.10939142	144.0
[M]-	184.11048858	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe