CID 4679494

6-hydroxy-3,4-dihydro-1(2h)-naphthalenone

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

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

InChI

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

InChIKey

FNSQPQKPPGALFA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1424
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]+	163.075356	130.3
[M+Na]+	185.057298	138.4
[M-H]-	161.060804	133.7
[M+NH4]+	180.101903	151.7
[M+K]+	201.031238	135.5
[M+H-H2O]+	145.065340	125.2
[M+HCOO]-	207.066281	150.7
[M+CH3COO]-	221.081931	175.3
[M+Na-2H]-	183.042746	137.6
[M]+	162.06753142	127.6
[M]-	162.06862858	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe