CID 110655

5413-60-5

Structural Information

Molecular Formula

C₁₂H₁₆O₂

SMILES

CC(=O)OC1CC2CC1C3C2C=CC3

InChI

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

InChIKey

RGVQNSFGUOIKFF-UHFFFAOYSA-N

Compound name

8-tricyclo[5.2.1.02,6]dec-3-enyl acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2618
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]+	193.122316	147.7
[M+Na]+	215.104258	155.2
[M-H]-	191.107764	151.8
[M+NH4]+	210.148863	175.1
[M+K]+	231.078198	153.1
[M+H-H2O]+	175.112300	144.4
[M+HCOO]-	237.113241	168.0
[M+CH3COO]-	251.128891	184.5
[M+Na-2H]-	213.089706	148.0
[M]+	192.11449142	148.3
[M]-	192.11558858	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe