CID 3016675

51503-08-3

Structural Information

Molecular Formula

C₁₁H₁₆O₂

SMILES

CC(C)(C)OC1=CC=C(C=C1)CO

InChI

InChI=1S/C11H16O2/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3

InChIKey

HXCIWXCKKJLNMH-UHFFFAOYSA-N

Compound name

[4-[(2-methylpropan-2-yl)oxy]phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 180.11504 Da
Monoisotopic Mass: 2.1
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	139.9
[M+Na]+	203.10426	147.5
[M-H]-	179.10776	142.5
[M+NH4]+	198.14886	159.8
[M+K]+	219.07820	145.7
[M+H-H2O]+	163.11230	134.9
[M+HCOO]-	225.11324	161.3
[M+CH3COO]-	239.12889	179.6
[M+Na-2H]-	201.08971	146.6
[M]+	180.11449	141.4
[M]-	180.11559	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe