CID 2735379

5696-74-2

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

C1=CC=C2C=C(C=CC2=C1)C(CN)O

InChI

InChI=1S/C12H13NO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12,14H,8,13H2

InChIKey

PGJHAXAIVJIVSM-UHFFFAOYSA-N

Compound name

2-amino-1-naphthalen-2-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 70
Patents: 187.09972 Da
Monoisotopic Mass: 1.7
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	139.6
[M+Na]+	210.08894	146.6
[M-H]-	186.09244	142.4
[M+NH4]+	205.13354	159.2
[M+K]+	226.06288	142.9
[M+H-H2O]+	170.09698	133.7
[M+HCOO]-	232.09792	161.3
[M+CH3COO]-	246.11357	183.4
[M+Na-2H]-	208.07439	146.5
[M]+	187.09917	137.0
[M]-	187.10027	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe