CID 7021428

201985-01-5

Structural Information

Molecular Formula

C₁₃H₁₄N₂O

SMILES

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

InChI

InChI=1S/C13H14N2O/c14-8-7-13(16)15-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8,14H2,(H,15,16)

InChIKey

FNMOUVSMWUISMV-UHFFFAOYSA-N

Compound name

3-amino-N-naphthalen-2-ylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 214.11061 Da
Monoisotopic Mass: 1.9
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]+	215.11789	147.6
[M+Na]+	237.09983	159.5
[M+NH4]+	232.14443	156.4
[M+K]+	253.07377	152.3
[M-H]-	213.10333	151.5
[M+Na-2H]-	235.08528	154.6
[M]+	214.11006	150.2
[M]-	214.11116	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe