CID 236547

2979-69-3

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

CC1(CCC(=O)C2=CC=CC=C21)C

InChI

InChI=1S/C12H14O/c1-12(2)8-7-11(13)9-5-3-4-6-10(9)12/h3-6H,7-8H2,1-2H3

InChIKey

NHDVZOXPHYFANX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 336
Patents: 174.10446 Da
Monoisotopic Mass: 2.9
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]+	175.11174	137.3
[M+Na]+	197.09368	151.5
[M+NH4]+	192.13828	149.1
[M+K]+	213.06762	141.6
[M-H]-	173.09718	141.0
[M+Na-2H]-	195.07913	145.8
[M]+	174.10391	140.7
[M]-	174.10501	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe