CID 100578

71712-08-8

Structural Information

Molecular Formula
C17H18O4
SMILES
CCOC1=CC2=C(C=C1CC3=CC=C(C=C3)OC)OCO2
InChI
InChI=1S/C17H18O4/c1-3-19-15-10-17-16(20-11-21-17)9-13(15)8-12-4-6-14(18-2)7-5-12/h4-7,9-10H,3,8,11H2,1-2H3
InChIKey
UJCODZLQXNZQPJ-UHFFFAOYSA-N
Compound name
5-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

286.1205 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 164.6
[M+Na]+ 309.10972 173.1
[M-H]- 285.11322 173.8
[M+NH4]+ 304.15432 180.8
[M+K]+ 325.08366 172.4
[M+H-H2O]+ 269.11776 157.9
[M+HCOO]- 331.11870 186.1
[M+CH3COO]- 345.13435 200.7
[M+Na-2H]- 307.09517 170.0
[M]+ 286.11995 171.0
[M]- 286.12105 171.0
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