CID 85724

64001-15-6

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

CC(=O)OC1CC2CC1C3C2CCC3

InChI

InChI=1S/C12H18O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h8-12H,2-6H2,1H3

InChIKey

YKFHIJHJBUDXFP-UHFFFAOYSA-N

Compound name

8-tricyclo[5.2.1.02,6]decanyl acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 172
Patents: 194.13068 Da
Monoisotopic Mass: 2.9
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]+	195.13796	149.6
[M+Na]+	217.11990	156.1
[M-H]-	193.12340	153.2
[M+NH4]+	212.16450	176.8
[M+K]+	233.09384	154.0
[M+H-H2O]+	177.12794	146.3
[M+HCOO]-	239.12888	168.4
[M+CH3COO]-	253.14453	184.9
[M+Na-2H]-	215.10535	148.9
[M]+	194.13013	148.7
[M]-	194.13123	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe