CID 7131

93-20-9

Structural Information

Molecular Formula

C₁₂H₁₂O₂

SMILES

C1=CC=C2C=C(C=CC2=C1)OCCO

InChI

InChI=1S/C12H12O2/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2

InChIKey

BQPBZDSDFCDSAO-UHFFFAOYSA-N

Compound name

2-naphthalen-2-yloxyethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 935
Patents: 188.08372 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]+	189.090996	138.2
[M+Na]+	211.072938	146.3
[M-H]-	187.076444	141.5
[M+NH4]+	206.117543	158.4
[M+K]+	227.046878	143.0
[M+H-H2O]+	171.080980	132.3
[M+HCOO]-	233.081921	160.7
[M+CH3COO]-	247.097571	180.4
[M+Na-2H]-	209.058386	147.0
[M]+	188.08317142	139.4
[M]-	188.08426858	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe