CID 12353836

62297-15-8

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

C1CCC2=CC=CC=C2CC(=O)C1

InChI

InChI=1S/C12H14O/c13-12-8-4-3-6-10-5-1-2-7-11(10)9-12/h1-2,5,7H,3-4,6,8-9H2

InChIKey

YWKDMMYOYNTWNY-UHFFFAOYSA-N

Compound name

7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 174.10446 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]+	175.111736	146.8
[M+Na]+	197.093678	151.5
[M-H]-	173.097184	148.9
[M+NH4]+	192.138283	156.4
[M+K]+	213.067618	151.2
[M+H-H2O]+	157.101720	143.2
[M+HCOO]-	219.102661	156.0
[M+CH3COO]-	233.118311	152.1
[M+Na-2H]-	195.079126	148.1
[M]+	174.10391142	145.3
[M]-	174.10500858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe