CID 81389

2-hydroxyethylmesitylene

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CC1=CC(=C(C(=C1)C)CCO)C

InChI

InChI=1S/C11H16O/c1-8-6-9(2)11(4-5-12)10(3)7-8/h6-7,12H,4-5H2,1-3H3

InChIKey

FQZPTDPHVFTOSY-UHFFFAOYSA-N

Compound name

2-(2,4,6-trimethylphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 98
Patents: 164.12012 Da
Monoisotopic Mass: 2.6
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]+	165.127396	134.8
[M+Na]+	187.109338	143.8
[M-H]-	163.112844	137.9
[M+NH4]+	182.153943	155.9
[M+K]+	203.083278	141.2
[M+H-H2O]+	147.117380	130.0
[M+HCOO]-	209.118321	157.5
[M+CH3COO]-	223.133971	180.2
[M+Na-2H]-	185.094786	139.6
[M]+	164.11957142	136.2
[M]-	164.12066858	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe