CID 5796

Sesamex

Structural Information

Molecular Formula
C15H22O6
SMILES
CCOCCOCCOC(C)OC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C15H22O6/c1-3-16-6-7-17-8-9-18-12(2)21-13-4-5-14-15(10-13)20-11-19-14/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKey
WABPPBHOPMUJHV-UHFFFAOYSA-N
Compound name
5-[1-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

6770
Patents

298.14163 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.14891 168.0
[M+Na]+ 321.13085 173.3
[M-H]- 297.13435 172.8
[M+NH4]+ 316.17545 183.1
[M+K]+ 337.10479 175.2
[M+H-H2O]+ 281.13889 161.4
[M+HCOO]- 343.13983 188.0
[M+CH3COO]- 357.15548 201.5
[M+Na-2H]- 319.11630 172.8
[M]+ 298.14108 177.7
[M]- 298.14218 177.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.