CID 82001

4-isopropoxyphenol

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

CC(C)OC1=CC=C(C=C1)O

InChI

InChI=1S/C9H12O2/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7,10H,1-2H3

InChIKey

QEYQMWSESURNPP-UHFFFAOYSA-N

Compound name

4-propan-2-yloxyphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 637
Patents: 152.08372 Da
Monoisotopic Mass: 2.6
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]+	153.09100	130.8
[M+Na]+	175.07294	143.4
[M+NH4]+	170.11754	139.5
[M+K]+	191.04688	137.6
[M-H]-	151.07644	132.6
[M+Na-2H]-	173.05839	137.6
[M]+	152.08317	133.0
[M]-	152.08427	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe