CID 21723656

4-(1-methyl-1-propylpentyl)phenol

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CCCCC(C)(CCC)C1=CC=C(C=C1)O

InChI

InChI=1S/C15H24O/c1-4-6-12-15(3,11-5-2)13-7-9-14(16)10-8-13/h7-10,16H,4-6,11-12H2,1-3H3

InChIKey

RTLDGOFIOZOJIE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
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.