CID 22750

1-acenaphthenol

Structural Information

Molecular Formula

C₁₂H₁₀O

SMILES

C1C(C2=CC=CC3=C2C1=CC=C3)O

InChI

InChI=1S/C12H10O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,11,13H,7H2

InChIKey

MXUCIEHYJYRTLT-UHFFFAOYSA-N

Compound name

1,2-dihydroacenaphthylen-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 380
Patents: 170.07317 Da
Monoisotopic Mass: 2.4
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]+	171.08045	133.4
[M+Na]+	193.06239	142.8
[M-H]-	169.06589	137.4
[M+NH4]+	188.10699	157.7
[M+K]+	209.03633	138.6
[M+H-H2O]+	153.07043	128.6
[M+HCOO]-	215.07137	155.0
[M+CH3COO]-	229.08702	147.6
[M+Na-2H]-	191.04784	141.3
[M]+	170.07262	133.6
[M]-	170.07372	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe