CID 82026

7522-62-5

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

CC1=C(C(=C(C(=C1CO)C)C)CO)C

InChI

InChI=1S/C12H18O2/c1-7-8(2)12(6-14)10(4)9(3)11(7)5-13/h13-14H,5-6H2,1-4H3

InChIKey

KDJOOHBQJRVMIX-UHFFFAOYSA-N

Compound name

[4-(hydroxymethyl)-2,3,5,6-tetramethylphenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 427
Patents: 194.13068 Da
Monoisotopic Mass: 1.6
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]+	195.137956	142.2
[M+Na]+	217.119898	152.1
[M-H]-	193.123404	144.4
[M+NH4]+	212.164503	161.9
[M+K]+	233.093838	149.0
[M+H-H2O]+	177.127940	137.7
[M+HCOO]-	239.128881	163.2
[M+CH3COO]-	253.144531	185.2
[M+Na-2H]-	215.105346	144.5
[M]+	194.13013142	144.3
[M]-	194.13122858	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe