CID 86743

3-decyldihydrofuran-2,5-dione

Structural Information

Molecular Formula
C14H24O3
SMILES
CCCCCCCCCCC1CC(=O)OC1=O
InChI
InChI=1S/C14H24O3/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h12H,2-11H2,1H3
InChIKey
YOWKKGPNCDIFFB-UHFFFAOYSA-N
Compound name
3-decyloxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2502
Patents

240.17255 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.17983 158.8
[M+Na]+ 263.16177 164.3
[M-H]- 239.16527 161.9
[M+NH4]+ 258.20637 177.1
[M+K]+ 279.13571 162.9
[M+H-H2O]+ 223.16981 153.1
[M+HCOO]- 285.17075 179.6
[M+CH3COO]- 299.18640 193.9
[M+Na-2H]- 261.14722 159.9
[M]+ 240.17200 162.6
[M]- 240.17310 162.6
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

patents stripe