CID 162620

6-methyl-1-tetralone

Structural Information

Molecular Formula

C₁₁H₁₂O

SMILES

CC1=CC2=C(C=C1)C(=O)CCC2

InChI

InChI=1S/C11H12O/c1-8-5-6-10-9(7-8)3-2-4-11(10)12/h5-7H,2-4H2,1H3

InChIKey

FPOGGJAFMWYNLI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 291
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]+	161.09610	132.2
[M+Na]+	183.07804	146.4
[M+NH4]+	178.12264	142.7
[M+K]+	199.05198	138.5
[M-H]-	159.08154	135.9
[M+Na-2H]-	181.06349	139.4
[M]+	160.08827	135.4
[M]-	160.08937	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe