CID 98036

68480-12-6

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

C1CC(C2=CC=CC=C2C1)CCO

InChI

InChI=1S/C12H16O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-2,4,7,11,13H,3,5-6,8-9H2

InChIKey

AIHUOSMQBXJRER-UHFFFAOYSA-N

Compound name

2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 35
Patents: 176.12012 Da
Monoisotopic Mass: 2.8
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]+	177.127396	138.1
[M+Na]+	199.109338	144.1
[M-H]-	175.112844	140.6
[M+NH4]+	194.153943	158.7
[M+K]+	215.083278	140.7
[M+H-H2O]+	159.117380	132.4
[M+HCOO]-	221.118321	157.4
[M+CH3COO]-	235.133971	179.0
[M+Na-2H]-	197.094786	144.8
[M]+	176.11957142	134.9
[M]-	176.12066858	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe