CID 106565

Phenol, ethyl-2-methyl-5-(1-methylethyl)-

Structural Information

Molecular Formula

C₁₂H₁₈O

SMILES

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

InChI

InChI=1S/C12H18O/c1-5-10-6-11(8(2)3)7-12(13)9(10)4/h6-8,13H,5H2,1-4H3

InChIKey

QTWMLLOLEYPWJU-UHFFFAOYSA-N

Compound name

3-ethyl-2-methyl-5-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 178.13577 Da
Monoisotopic Mass: 3.9
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]+	179.143046	139.5
[M+Na]+	201.124988	147.8
[M-H]-	177.128494	142.4
[M+NH4]+	196.169593	159.9
[M+K]+	217.098928	145.4
[M+H-H2O]+	161.133030	134.5
[M+HCOO]-	223.133971	160.8
[M+CH3COO]-	237.149621	184.1
[M+Na-2H]-	199.110436	142.4
[M]+	178.13522142	140.6
[M]-	178.13631858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.