CID 20139

2,4,6-trimethylbenzyl alcohol

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CC1=CC(=C(C(=C1)C)CO)C

InChI

InChI=1S/C10H14O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5,11H,6H2,1-3H3

InChIKey

LODDFDHPSIYCTK-UHFFFAOYSA-N

Compound name

(2,4,6-trimethylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 932
Patents: 150.10446 Da
Monoisotopic Mass: 2.1
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]+	151.11174	130.1
[M+Na]+	173.09368	139.6
[M-H]-	149.09718	133.3
[M+NH4]+	168.13828	151.7
[M+K]+	189.06762	137.2
[M+H-H2O]+	133.10172	125.5
[M+HCOO]-	195.10266	153.1
[M+CH3COO]-	209.11831	177.2
[M+Na-2H]-	171.07913	135.4
[M]+	150.10391	131.2
[M]-	150.10501	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe