CID 4136021

8-methoxy-2-tetralone

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

COC1=CC=CC2=C1CC(=O)CC2

InChI

InChI=1S/C11H12O2/c1-13-11-4-2-3-8-5-6-9(12)7-10(8)11/h2-4H,5-7H2,1H3

InChIKey

BTYBORAHYUCUMH-UHFFFAOYSA-N

Compound name

8-methoxy-3,4-dihydro-1H-naphthalen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 326
Patents: 176.08372 Da
Monoisotopic Mass: 1.6
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]+	177.09100	134.4
[M+Na]+	199.07294	142.4
[M-H]-	175.07644	139.0
[M+NH4]+	194.11754	155.9
[M+K]+	215.04688	140.2
[M+H-H2O]+	159.08098	128.7
[M+HCOO]-	221.08192	156.0
[M+CH3COO]-	235.09757	180.9
[M+Na-2H]-	197.05839	141.6
[M]+	176.08317	133.9
[M]-	176.08427	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe