CID 10219954

177034-57-0

Structural Information

Molecular Formula

C₁₂H₁₈O₃

SMILES

CC(C)OCCOCC1=CC=C(C=C1)O

InChI

InChI=1S/C12H18O3/c1-10(2)15-8-7-14-9-11-3-5-12(13)6-4-11/h3-6,10,13H,7-9H2,1-2H3

InChIKey

ISQLWWCGQXEAJG-UHFFFAOYSA-N

Compound name

4-(2-propan-2-yloxyethoxymethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 210.1256 Da
Monoisotopic Mass: 1.9
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	147.9
[M+Na]+	233.11482	154.1
[M-H]-	209.11832	149.9
[M+NH4]+	228.15942	166.1
[M+K]+	249.08876	152.6
[M+H-H2O]+	193.12286	141.7
[M+HCOO]-	255.12380	169.6
[M+CH3COO]-	269.13945	185.8
[M+Na-2H]-	231.10027	152.0
[M]+	210.12505	151.1
[M]-	210.12615	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe