CID 139596843

Dtxsid201028716

Structural Information

Molecular Formula

C₁₉H₂₄O₃

SMILES

CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)O

InChI

InChI=1S/C19H24O3/c1-4-22-18-10-8-16(9-11-18)19(2,3)14-21-13-15-6-5-7-17(20)12-15/h5-12,20H,4,13-14H2,1-3H3

InChIKey

QVRFIAXQXKODFV-UHFFFAOYSA-N

Compound name

3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 300.17255 Da
Monoisotopic Mass: 5.2
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]+	301.179826	173.0
[M+Na]+	323.161768	179.0
[M-H]-	299.165274	178.0
[M+NH4]+	318.206373	187.5
[M+K]+	339.135708	175.4
[M+H-H2O]+	283.169810	165.3
[M+HCOO]-	345.170751	193.2
[M+CH3COO]-	359.186401	203.2
[M+Na-2H]-	321.147216	177.2
[M]+	300.17200142	176.5
[M]-	300.17309858	176.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.