CID 206248

Phenol, 2-ethyl-6-propyl-

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CCCC1=CC=CC(=C1O)CC

InChI

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

InChIKey

AKZFZHNJLYDHKN-UHFFFAOYSA-N

Compound name

2-ethyl-6-propylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 636
Patents: 164.12012 Da
Monoisotopic Mass: 3.6
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]+	165.12740	135.6
[M+Na]+	187.10934	143.7
[M-H]-	163.11284	138.3
[M+NH4]+	182.15394	156.4
[M+K]+	203.08328	141.0
[M+H-H2O]+	147.11738	130.5
[M+HCOO]-	209.11832	158.3
[M+CH3COO]-	223.13397	179.0
[M+Na-2H]-	185.09479	141.0
[M]+	164.11957	136.7
[M]-	164.12067	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe