CID 24883481

2-aminoethyl naphthalen-1-ylacetate

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

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

InChI

InChI=1S/C14H15NO2/c15-8-9-17-14(16)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,15H2

InChIKey

PDCSQCHNOPNJMK-UHFFFAOYSA-N

Compound name

2-aminoethyl 2-naphthalen-1-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 229.11028 Da
Monoisotopic Mass: 2.1
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]+	230.11756	151.0
[M+Na]+	252.09950	157.8
[M-H]-	228.10300	154.8
[M+NH4]+	247.14410	169.5
[M+K]+	268.07344	154.4
[M+H-H2O]+	212.10754	144.2
[M+HCOO]-	274.10848	173.9
[M+CH3COO]-	288.12413	192.6
[M+Na-2H]-	250.08495	157.2
[M]+	229.10973	151.6
[M]-	229.11083	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe