CID 13738660

62089-82-1

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C1CC(=O)C2=CC=CC=C2C1N

InChI

InChI=1S/C10H11NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-4,9H,5-6,11H2

InChIKey

ZIKUGMFMPBBBDM-UHFFFAOYSA-N

Compound name

4-amino-3,4-dihydro-2H-naphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 161.08406 Da
Monoisotopic Mass: 0.7
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]+	162.09134	132.0
[M+Na]+	184.07328	144.7
[M+NH4]+	179.11788	141.8
[M+K]+	200.04722	137.7
[M-H]-	160.07678	135.7
[M+Na-2H]-	182.05873	138.6
[M]+	161.08351	134.7
[M]-	161.08461	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe