CID 7122

2-acetylnaphthalene

Structural Information

Molecular Formula

C₁₂H₁₀O

SMILES

CC(=O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3

InChIKey

XSAYZAUNJMRRIR-UHFFFAOYSA-N

Compound name

1-naphthalen-2-ylethanone

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 20
References: 17195
Patents: 170.07317 Da
Monoisotopic Mass: 3.2
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	133.3
[M+Na]+	193.062388	141.9
[M-H]-	169.065894	138.2
[M+NH4]+	188.106993	154.9
[M+K]+	209.036328	138.9
[M+H-H2O]+	153.070430	127.6
[M+HCOO]-	215.071371	156.3
[M+CH3COO]-	229.087021	181.0
[M+Na-2H]-	191.047836	141.4
[M]+	170.07262142	133.6
[M]-	170.07371858	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe