CID 3058305

Phenol, 2,5-diisopropyl-6-methyl-

Structural Information

Molecular Formula

C₁₃H₂₀O

SMILES

CC1=C(C=CC(=C1O)C(C)C)C(C)C

InChI

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

InChIKey

ABPIMHOWWQRNLJ-UHFFFAOYSA-N

Compound name

2-methyl-3,6-di(propan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
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	143.9
[M+Na]+	215.14063	151.6
[M-H]-	191.14413	146.7
[M+NH4]+	210.18523	163.7
[M+K]+	231.11457	149.4
[M+H-H2O]+	175.14867	138.9
[M+HCOO]-	237.14961	163.9
[M+CH3COO]-	251.16526	188.0
[M+Na-2H]-	213.12608	145.1
[M]+	192.15086	144.8
[M]-	192.15196	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe