CID 17389864

910443-27-5

Structural Information

Molecular Formula

C₁₃H₁₅NO₂

SMILES

COC1=CC=C(C2=CC=CC=C21)C(CO)N

InChI

InChI=1S/C13H15NO2/c1-16-13-7-6-10(12(14)8-15)9-4-2-3-5-11(9)13/h2-7,12,15H,8,14H2,1H3

InChIKey

COSARAPTEFAJJY-UHFFFAOYSA-N

Compound name

2-amino-2-(4-methoxynaphthalen-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 217.11028 Da
Monoisotopic Mass: 1.4
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]+	218.11756	147.5
[M+Na]+	240.09950	154.9
[M-H]-	216.10300	150.4
[M+NH4]+	235.14410	166.1
[M+K]+	256.07344	151.6
[M+H-H2O]+	200.10754	141.3
[M+HCOO]-	262.10848	169.0
[M+CH3COO]-	276.12413	189.8
[M+Na-2H]-	238.08495	153.1
[M]+	217.10973	147.1
[M]-	217.11083	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe