CID 20208170

96840-56-1

Structural Information

Molecular Formula

C₁₂H₁₈O₃

SMILES

CCOC1=C(C=CC(=C1)COC(C)C)O

InChI

InChI=1S/C12H18O3/c1-4-14-12-7-10(5-6-11(12)13)8-15-9(2)3/h5-7,9,13H,4,8H2,1-3H3

InChIKey

YZRQXLRQRMJMCX-UHFFFAOYSA-N

Compound name

2-ethoxy-4-(propan-2-yloxymethyl)phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 68
Patents: 210.1256 Da
Monoisotopic Mass: 2.4
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]+	211.13288	147.0
[M+Na]+	233.11482	158.9
[M+NH4]+	228.15942	154.6
[M+K]+	249.08876	153.2
[M-H]-	209.11832	148.2
[M+Na-2H]-	231.10027	152.3
[M]+	210.12505	149.0
[M]-	210.12615	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe