CID 119921

5-hydroxy-1-tetralone

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C1CC2=C(C=CC=C2O)C(=O)C1

InChI

InChI=1S/C10H10O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,11H,2,4,6H2

InChIKey

YPPZCRZRQHFRBH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 635
Patents: 162.06808 Da
Monoisotopic Mass: 2.1
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]+	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