CID 25324

Decahydro-2-naphthyl acetate

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

CC(=O)OC1CCC2CCCCC2C1

InChI

InChI=1S/C12H20O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h10-12H,2-8H2,1H3

InChIKey

XKCLIPLFEJSOAT-UHFFFAOYSA-N

Compound name

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1427
Patents: 196.14633 Da
Monoisotopic Mass: 3.5
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]+	197.15361	145.6
[M+Na]+	219.13555	155.5
[M+NH4]+	214.18015	155.0
[M+K]+	235.10949	149.1
[M-H]-	195.13905	147.8
[M+Na-2H]-	217.12100	149.0
[M]+	196.14578	147.4
[M]-	196.14688	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe