CID 10375946

5-hexyltetrahydro-2-oxo-3-furancarboxylic acid

Structural Information

Molecular Formula

C₁₁H₁₈O₄

SMILES

CCCCCCC1CC(C(=O)O1)C(=O)O

InChI

InChI=1S/C11H18O4/c1-2-3-4-5-6-8-7-9(10(12)13)11(14)15-8/h8-9H,2-7H2,1H3,(H,12,13)

InChIKey

ZHNHBUOFMLNZNN-UHFFFAOYSA-N

Compound name

5-hexyl-2-oxooxolane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.12051 Da
Monoisotopic Mass: 3.5
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]+	215.12779	149.3
[M+Na]+	237.10973	157.3
[M+NH4]+	232.15433	155.2
[M+K]+	253.08367	155.2
[M-H]-	213.11323	149.3
[M+Na-2H]-	235.09518	149.8
[M]+	214.11996	150.0
[M]-	214.12106	150.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.