CID 3040834

2-ethyl-6-isopropylphenol

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CCC1=C(C(=CC=C1)C(C)C)O

InChI

InChI=1S/C11H16O/c1-4-9-6-5-7-10(8(2)3)11(9)12/h5-8,12H,4H2,1-3H3

InChIKey

OTLDNWAMLMBKHT-UHFFFAOYSA-N

Compound name

2-ethyl-6-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
Patents: 164.12012 Da
Monoisotopic Mass: 3.4
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]+	165.127396	135.8
[M+Na]+	187.109338	143.6
[M-H]-	163.112844	138.5
[M+NH4]+	182.153943	156.4
[M+K]+	203.083278	141.4
[M+H-H2O]+	147.117380	130.7
[M+HCOO]-	209.118321	157.5
[M+CH3COO]-	223.133971	179.9
[M+Na-2H]-	185.094786	139.9
[M]+	164.11957142	136.1
[M]-	164.12066858	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe