CID 118283

36144-10-2

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

CC(=O)OC12CCCCC1CCCC2

InChI

InChI=1S/C12H20O2/c1-10(13)14-12-8-4-2-6-11(12)7-3-5-9-12/h11H,2-9H2,1H3

InChIKey

COHJFBQTCBAHIJ-UHFFFAOYSA-N

Compound name

2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 196.14633 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]+	197.153606	146.6
[M+Na]+	219.135548	150.0
[M-H]-	195.139054	149.5
[M+NH4]+	214.180153	168.4
[M+K]+	235.109488	148.7
[M+H-H2O]+	179.143590	140.9
[M+HCOO]-	241.144531	162.4
[M+CH3COO]-	255.160181	182.6
[M+Na-2H]-	217.120996	151.1
[M]+	196.14578142	140.8
[M]-	196.14687858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe