CID 348326

7498-85-3

Structural Information

Molecular Formula

C₁₆H₁₃NO₂

SMILES

CCOC(=O)C(=CC1=CC=CC2=CC=CC=C21)C#N

InChI

InChI=1S/C16H13NO2/c1-2-19-16(18)14(11-17)10-13-8-5-7-12-6-3-4-9-15(12)13/h3-10H,2H2,1H3

InChIKey

LKIMUVKEQPRZFV-UHFFFAOYSA-N

Compound name

ethyl 2-cyano-3-naphthalen-1-ylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 251.09464 Da
Monoisotopic Mass: 3.7
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]+	252.10192	160.6
[M+Na]+	274.08386	173.0
[M+NH4]+	269.12846	165.2
[M+K]+	290.05780	162.6
[M-H]-	250.08736	155.5
[M+Na-2H]-	272.06931	163.9
[M]+	251.09409	160.1
[M]-	251.09519	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe