CID 76237

2933-59-7

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

C1=CC=C2C(=C1)C=CC=C2NCCO

InChI

InChI=1S/C12H13NO/c14-9-8-13-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14H,8-9H2

InChIKey

HLJIIZLYKMQFSS-UHFFFAOYSA-N

Compound name

2-(naphthalen-1-ylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 64
Patents: 187.09972 Da
Monoisotopic Mass: 2.2
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]+	188.10700	138.3
[M+Na]+	210.08894	145.5
[M-H]-	186.09244	141.4
[M+NH4]+	205.13354	158.2
[M+K]+	226.06288	141.6
[M+H-H2O]+	170.09698	132.2
[M+HCOO]-	232.09792	161.6
[M+CH3COO]-	246.11357	183.2
[M+Na-2H]-	208.07439	147.5
[M]+	187.09917	137.3
[M]-	187.10027	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe