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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.127786 148.8
[M+Na]+ 237.109728 154.8
[M-H]- 213.113234 151.1
[M+NH4]+ 232.154333 167.3
[M+K]+ 253.083668 154.2
[M+H-H2O]+ 197.117770 143.8
[M+HCOO]- 259.118711 168.3
[M+CH3COO]- 273.134361 185.2
[M+Na-2H]- 235.095176 149.9
[M]+ 214.11996142 150.5
[M]- 214.12105858 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.