CID 88099

2-ethoxy-1-naphthaldehyde

Structural Information

Molecular Formula

C₁₃H₁₂O₂

SMILES

CCOC1=C(C2=CC=CC=C2C=C1)C=O

InChI

InChI=1S/C13H12O2/c1-2-15-13-8-7-10-5-3-4-6-11(10)12(13)9-14/h3-9H,2H2,1H3

InChIKey

IMNKQTWVJHODOS-UHFFFAOYSA-N

Compound name

2-ethoxynaphthalene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 351
Patents: 200.08372 Da
Monoisotopic Mass: 3.0
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]+	201.09100	141.6
[M+Na]+	223.07294	156.8
[M+NH4]+	218.11754	151.3
[M+K]+	239.04688	148.5
[M-H]-	199.07644	145.1
[M+Na-2H]-	221.05839	149.7
[M]+	200.08317	144.9
[M]-	200.08427	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe