CID 13047

1-naphthaleneethanol

Structural Information

Molecular Formula

C₁₂H₁₂O

SMILES

C1=CC=C2C(=C1)C=CC=C2CCO

InChI

InChI=1S/C12H12O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2

InChIKey

RXWNCMHRJCOWDK-UHFFFAOYSA-N

Compound name

2-naphthalen-1-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2379
Patents: 172.08882 Da
Monoisotopic Mass: 3.2
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]+	173.09610	135.4
[M+Na]+	195.07804	150.3
[M+NH4]+	190.12264	145.7
[M+K]+	211.05198	141.9
[M-H]-	171.08154	139.1
[M+Na-2H]-	193.06349	143.9
[M]+	172.08827	138.7
[M]-	172.08937	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe