CID 98478

2500-83-6

Structural Information

Molecular Formula

C₁₂H₁₆O₂

SMILES

CC(=O)OC1CC2CC1C3C2CC=C3

InChI

InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2,4,8-12H,3,5-6H2,1H3

InChIKey

BJLRAKFWOUAROE-UHFFFAOYSA-N

Compound name

8-tricyclo[5.2.1.02,6]dec-4-enyl acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 3426
Patents: 192.11504 Da
Monoisotopic Mass: 2.2
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]+	193.12232	147.7
[M+Na]+	215.10426	155.2
[M-H]-	191.10776	151.8
[M+NH4]+	210.14886	175.1
[M+K]+	231.07820	153.1
[M+H-H2O]+	175.11230	144.4
[M+HCOO]-	237.11324	168.0
[M+CH3COO]-	251.12889	184.5
[M+Na-2H]-	213.08971	148.0
[M]+	192.11449	148.3
[M]-	192.11559	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe