CID 18988913

Schembl3276442

Structural Information

Molecular Formula

C₁₄H₁₄O₂

SMILES

CC(C=O)C1=CC=CC2=C1C=CC(=C2)OC

InChI

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

InChIKey

PCFIDGCMVMTREH-UHFFFAOYSA-N

Compound name

2-(6-methoxynaphthalen-1-yl)propanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 214.09938 Da
Monoisotopic Mass: 3.1
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]+	215.106656	145.8
[M+Na]+	237.088598	154.4
[M-H]-	213.092104	150.7
[M+NH4]+	232.133203	165.9
[M+K]+	253.062538	151.5
[M+H-H2O]+	197.096640	139.6
[M+HCOO]-	259.097581	168.3
[M+CH3COO]-	273.113231	190.1
[M+Na-2H]-	235.074046	152.1
[M]+	214.09883142	148.6
[M]-	214.09992858	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe