CID 12570786

43017-75-0

Structural Information

Molecular Formula

C₁₂H₁₀O

SMILES

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

InChI

InChI=1S/C12H10O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2

InChIKey

CCHAJZURXPPHJU-UHFFFAOYSA-N

Compound name

2-naphthalen-1-ylacetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2939
Patents: 170.07317 Da
Monoisotopic Mass: 2.7
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]+	171.080446	133.1
[M+Na]+	193.062388	142.0
[M-H]-	169.065894	137.8
[M+NH4]+	188.106993	154.7
[M+K]+	209.036328	138.5
[M+H-H2O]+	153.070430	127.2
[M+HCOO]-	215.071371	157.1
[M+CH3COO]-	229.087021	180.1
[M+Na-2H]-	191.047836	142.4
[M]+	170.07262142	134.0
[M]-	170.07371858	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe