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

6631
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

literature stripe

Patent stripe

patents stripe