CID 96626

2,6-diisopropyl-4-methylphenol

Structural Information

Molecular Formula

C₁₃H₂₀O

SMILES

CC1=CC(=C(C(=C1)C(C)C)O)C(C)C

InChI

InChI=1S/C13H20O/c1-8(2)11-6-10(5)7-12(9(3)4)13(11)14/h6-9,14H,1-5H3

InChIKey

PNTYWMCFKKJDAA-UHFFFAOYSA-N

Compound name

4-methyl-2,6-di(propan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 198
Patents: 192.15141 Da
Monoisotopic Mass: 4.2
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]+	193.15869	145.2
[M+Na]+	215.14063	157.9
[M+NH4]+	210.18523	153.7
[M+K]+	231.11457	151.9
[M-H]-	191.14413	147.3
[M+Na-2H]-	213.12608	150.6
[M]+	192.15086	147.6
[M]-	192.15196	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe