CID 571818

7-hydroxy-1-tetralone

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C1CC2=C(C=C(C=C2)O)C(=O)C1

InChI

InChI=1S/C10H10O2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,11H,1-3H2

InChIKey

LGFSAJZSDNYVCW-UHFFFAOYSA-N

Compound name

7-hydroxy-3,4-dihydro-2H-naphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 545
Patents: 162.06808 Da
Monoisotopic Mass: 1.7
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]+	163.07536	131.4
[M+Na]+	185.05730	144.7
[M+NH4]+	180.10190	141.0
[M+K]+	201.03124	137.9
[M-H]-	161.06080	134.0
[M+Na-2H]-	183.04275	137.7
[M]+	162.06753	134.0
[M]-	162.06863	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe