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: 17
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	146.3
[M+Na]+	237.09983	152.7
[M-H]-	213.10333	150.2
[M+NH4]+	232.14443	165.1
[M+K]+	253.07377	149.1
[M+H-H2O]+	197.10787	139.5
[M+HCOO]-	259.10881	170.3
[M+CH3COO]-	273.12446	192.5
[M+Na-2H]-	235.08528	153.5
[M]+	214.11006	144.4
[M]-	214.11116	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe