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]+ 215.12779 148.8
[M+Na]+ 237.10973 154.8
[M-H]- 213.11323 151.1
[M+NH4]+ 232.15433 167.3
[M+K]+ 253.08367 154.2
[M+H-H2O]+ 197.11777 143.8
[M+HCOO]- 259.11871 168.3
[M+CH3COO]- 273.13436 185.2
[M+Na-2H]- 235.09518 149.9
[M]+ 214.11996 150.5
[M]- 214.12106 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.