CID 13844298

4-[5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol

Structural Information

Molecular Formula
C20H22O5
SMILES
CC1C(C(OC1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)O)OC)C
InChI
InChI=1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3
InChIKey
JPDORDSJPIKURD-UHFFFAOYSA-N
Compound name
4-[5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

40
Patents

342.14673 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15401 179.7
[M+Na]+ 365.13595 188.1
[M-H]- 341.13945 192.0
[M+NH4]+ 360.18055 193.5
[M+K]+ 381.10989 187.7
[M+H-H2O]+ 325.14399 174.8
[M+HCOO]- 387.14493 197.0
[M+CH3COO]- 401.16058 191.8
[M+Na-2H]- 363.12140 179.3
[M]+ 342.14618 184.2
[M]- 342.14728 184.2
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