CID 22101865

33209-72-2

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

CC1(CCC(=O)C2=C1C=CC(=C2)O)C

InChI

InChI=1S/C12H14O2/c1-12(2)6-5-11(14)9-7-8(13)3-4-10(9)12/h3-4,7,13H,5-6H2,1-2H3

InChIKey

HDBIRTDFQWFPKV-UHFFFAOYSA-N

Compound name

7-hydroxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 190.09938 Da
Monoisotopic Mass: 2.5
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]+	191.10666	139.1
[M+Na]+	213.08860	148.3
[M-H]-	189.09210	142.9
[M+NH4]+	208.13320	161.8
[M+K]+	229.06254	145.1
[M+H-H2O]+	173.09664	134.4
[M+HCOO]-	235.09758	158.9
[M+CH3COO]-	249.11323	182.1
[M+Na-2H]-	211.07405	145.7
[M]+	190.09883	137.9
[M]-	190.09993	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe