CID 3058301

Phenol, 2-isopropyl-6-(1-methylpentyl)-

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CCCCC(C)C1=CC=CC(=C1O)C(C)C

InChI

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

InChIKey

LFZKOLOIDMPGAH-UHFFFAOYSA-N

Compound name

2-hexan-2-yl-6-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 220.18271 Da
Monoisotopic Mass: 5.4
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]+	221.189986	154.5
[M+Na]+	243.171928	160.4
[M-H]-	219.175434	156.6
[M+NH4]+	238.216533	172.9
[M+K]+	259.145868	157.7
[M+H-H2O]+	203.179970	148.8
[M+HCOO]-	265.180911	173.9
[M+CH3COO]-	279.196561	192.9
[M+Na-2H]-	241.157376	155.2
[M]+	220.18216142	155.7
[M]-	220.18325858	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe