CID 12221416

4-(1-ethyl-1-methylhexyl)phenol

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CCCCCC(C)(CC)C1=CC=C(C=C1)O

InChI

InChI=1S/C15H24O/c1-4-6-7-12-15(3,5-2)13-8-10-14(16)11-9-13/h8-11,16H,4-7,12H2,1-3H3

InChIKey

QQKQQJZGUCFUPP-UHFFFAOYSA-N

Compound name

4-(3-methyloctan-3-yl)phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 0
Patents: 220.18271 Da
Monoisotopic Mass: 5.9
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]+	221.189986	154.9
[M+Na]+	243.171928	160.8
[M-H]-	219.175434	156.7
[M+NH4]+	238.216533	173.2
[M+K]+	259.145868	157.5
[M+H-H2O]+	203.179970	149.3
[M+HCOO]-	265.180911	174.7
[M+CH3COO]-	279.196561	190.4
[M+Na-2H]-	241.157376	159.4
[M]+	220.18216142	156.5
[M]-	220.18325858	156.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.