CID 98159

Einecs 211-956-5

Structural Information

Molecular Formula

C₁₃H₁₄N₂O

SMILES

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)N

InChI

InChI=1S/C13H14N2O/c1-9(14)13(16)15-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,14H2,1H3,(H,15,16)

InChIKey

RQHPADKWNYTHOH-UHFFFAOYSA-N

Compound name

2-amino-N-naphthalen-2-ylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 109
Patents: 214.11061 Da
Monoisotopic Mass: 1.8
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	147.1
[M+Na]+	237.09983	153.2
[M-H]-	213.10333	151.0
[M+NH4]+	232.14443	165.8
[M+K]+	253.07377	150.1
[M+H-H2O]+	197.10787	140.4
[M+HCOO]-	259.10881	170.1
[M+CH3COO]-	273.12446	193.4
[M+Na-2H]-	235.08528	153.0
[M]+	214.11006	144.5
[M]-	214.11116	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe