CID 161675

30772-69-1

Structural Information

Molecular Formula

C₁₃H₂₀O₂

SMILES

CC(=O)OCC1CCC2C1C3CCC2C3

InChI

InChI=1S/C13H20O2/c1-8(14)15-7-11-4-5-12-9-2-3-10(6-9)13(11)12/h9-13H,2-7H2,1H3

InChIKey

TXFBASMXWNIAGS-UHFFFAOYSA-N

Compound name

3-tricyclo[5.2.1.02,6]decanylmethyl acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 14
Patents: 208.14633 Da
Monoisotopic Mass: 3.2
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]+	209.15361	154.4
[M+Na]+	231.13555	160.4
[M-H]-	207.13905	157.8
[M+NH4]+	226.18015	181.0
[M+K]+	247.10949	158.1
[M+H-H2O]+	191.14359	150.9
[M+HCOO]-	253.14453	172.8
[M+CH3COO]-	267.16018	187.9
[M+Na-2H]-	229.12100	153.1
[M]+	208.14578	153.8
[M]-	208.14688	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe