CID 69885

774-55-0

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

CC(=O)C1=CC2=C(CCCC2)C=C1

InChI

InChI=1S/C12H14O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-8H,2-5H2,1H3

InChIKey

VEPUKHYQNXSSKV-UHFFFAOYSA-N

Compound name

1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 387
Patents: 174.10446 Da
Monoisotopic Mass: 3.0
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	137.4
[M+Na]+	197.09368	150.6
[M+NH4]+	192.13828	147.5
[M+K]+	213.06762	143.1
[M-H]-	173.09718	140.7
[M+Na-2H]-	195.07913	144.1
[M]+	174.10391	140.2
[M]-	174.10501	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe