CID 98128

Einecs 256-300-9

Structural Information

Molecular Formula
C18H32O3
SMILES
CCCCCCCCCCCCCCC1CC(=O)OC1=O
InChI
InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(19)21-18(16)20/h16H,2-15H2,1H3
InChIKey
BZECBEKZECEQRI-UHFFFAOYSA-N
Compound name
3-tetradecyloxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1055
Patents

296.23514 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.242416 177.2
[M+Na]+ 319.224358 181.0
[M-H]- 295.227864 179.6
[M+NH4]+ 314.268963 193.3
[M+K]+ 335.198298 178.6
[M+H-H2O]+ 279.232400 170.8
[M+HCOO]- 341.233341 196.6
[M+CH3COO]- 355.248991 205.9
[M+Na-2H]- 317.209806 176.1
[M]+ 296.23459142 182.6
[M]- 296.23568858 182.6
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