CID 12618528

1000505-33-8

Structural Information

Molecular Formula

C₁₁H₁₆O₂

SMILES

CC(C)OC1=CC=CC=C1CCO

InChI

InChI=1S/C11H16O2/c1-9(2)13-11-6-4-3-5-10(11)7-8-12/h3-6,9,12H,7-8H2,1-2H3

InChIKey

ICSGTKCQDRPWBD-UHFFFAOYSA-N

Compound name

2-(2-propan-2-yloxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 180.11504 Da
Monoisotopic Mass: 2.8
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]+	181.12232	140.0
[M+Na]+	203.10426	146.8
[M-H]-	179.10776	142.3
[M+NH4]+	198.14886	159.6
[M+K]+	219.07820	145.1
[M+H-H2O]+	163.11230	134.4
[M+HCOO]-	225.11324	161.9
[M+CH3COO]-	239.12889	180.7
[M+Na-2H]-	201.08971	144.8
[M]+	180.11449	141.4
[M]-	180.11559	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe