CID 3013990

716-94-9

Structural Information

Molecular Formula

C₁₂H₁₂N₂O

SMILES

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

InChI

InChI=1S/C12H12N2O/c13-8-12(15)14-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8,13H2,(H,14,15)

InChIKey

AGKGUZNUTMWZTB-UHFFFAOYSA-N

Compound name

2-amino-N-naphthalen-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 89
Patents: 200.09496 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]+	201.10224	141.7
[M+Na]+	223.08418	148.5
[M-H]-	199.08768	145.8
[M+NH4]+	218.12878	161.0
[M+K]+	239.05812	145.1
[M+H-H2O]+	183.09222	135.1
[M+HCOO]-	245.09316	166.0
[M+CH3COO]-	259.10881	189.5
[M+Na-2H]-	221.06963	149.4
[M]+	200.09441	139.4
[M]-	200.09551	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe