CID 162619

8-methyl-1-tetralone

Structural Information

Molecular Formula

C₁₁H₁₂O

SMILES

CC1=C2C(=CC=C1)CCCC2=O

InChI

InChI=1S/C11H12O/c1-8-4-2-5-9-6-3-7-10(12)11(8)9/h2,4-5H,3,6-7H2,1H3

InChIKey

ACEWUDFEONXYQH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 96
Patents: 160.08882 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]+	161.096096	131.0
[M+Na]+	183.078038	139.2
[M-H]-	159.081544	135.6
[M+NH4]+	178.122643	153.2
[M+K]+	199.051978	136.4
[M+H-H2O]+	143.086080	125.6
[M+HCOO]-	205.087021	152.4
[M+CH3COO]-	219.102671	178.9
[M+Na-2H]-	181.063486	138.2
[M]+	160.08827142	129.0
[M]-	160.08936858	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe