CID 181472

73664-32-1

Structural Information

Molecular Formula

C₁₄H₁₆N₂O

SMILES

C1=CC=C2C(=C1)C=CC=C2CC(=O)NCCN

InChI

InChI=1S/C14H16N2O/c15-8-9-16-14(17)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,15H2,(H,16,17)

InChIKey

OJWZEVNPRJDAME-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)-2-naphthalen-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 228.12627 Da
Monoisotopic Mass: 1.5
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]+	229.13355	150.9
[M+Na]+	251.11549	156.9
[M-H]-	227.11899	154.6
[M+NH4]+	246.16009	169.1
[M+K]+	267.08943	153.0
[M+H-H2O]+	211.12353	143.9
[M+HCOO]-	273.12447	174.6
[M+CH3COO]-	287.14012	195.6
[M+Na-2H]-	249.10094	157.6
[M]+	228.12572	149.4
[M]-	228.12682	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe