CID 62428

Ethyl 1-naphthaleneacetate

Structural Information

Molecular Formula

C₁₄H₁₄O₂

SMILES

CCOC(=O)CC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C14H14O2/c1-2-16-14(15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3

InChIKey

XIDPSKQLXKCVQN-UHFFFAOYSA-N

Compound name

ethyl 2-naphthalen-1-ylacetate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 629
Patents: 214.09938 Da
Monoisotopic Mass: 3.4
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]+	215.106656	146.6
[M+Na]+	237.088598	154.3
[M-H]-	213.092104	151.1
[M+NH4]+	232.133203	166.4
[M+K]+	253.062538	151.4
[M+H-H2O]+	197.096640	140.2
[M+HCOO]-	259.097581	169.1
[M+CH3COO]-	273.113231	188.3
[M+Na-2H]-	235.074046	153.5
[M]+	214.09883142	148.9
[M]-	214.09992858	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe