CID 277449

1196-55-0

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

C1CCC2=CC(=O)CCC2C1

InChI

InChI=1S/C10H14O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h7-8H,1-6H2

InChIKey

FOCKPZOFYCTNIA-UHFFFAOYSA-N

Compound name

4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 150.10446 Da
Monoisotopic Mass: 1.9
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]+	151.111736	130.5
[M+Na]+	173.093678	135.9
[M-H]-	149.097184	134.1
[M+NH4]+	168.138283	152.6
[M+K]+	189.067618	133.8
[M+H-H2O]+	133.101720	124.9
[M+HCOO]-	195.102661	149.3
[M+CH3COO]-	209.118311	175.5
[M+Na-2H]-	171.079126	136.7
[M]+	150.10391142	124.8
[M]-	150.10500858	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe