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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	287.127776	164.6
[M+Na]+	309.109718	173.1
[M-H]-	285.113224	173.8
[M+NH4]+	304.154323	180.8
[M+K]+	325.083658	172.4
[M+H-H2O]+	269.117760	157.9
[M+HCOO]-	331.118701	186.1
[M+CH3COO]-	345.134351	200.7
[M+Na-2H]-	307.095166	170.0
[M]+	286.11995142	171.0
[M]-	286.12104858	171.0

Literature stripe

literature stripe

Patent stripe

patents stripe