CID 23250351

61363-31-3

Structural Information

Molecular Formula

C₁₄H₂₀O₃

SMILES

CCOC(=O)C1C2CC3CC(C2)CC(C3)C1=O

InChI

InChI=1S/C14H20O3/c1-2-17-14(16)12-10-4-8-3-9(5-10)7-11(6-8)13(12)15/h8-12H,2-7H2,1H3

InChIKey

YKVJWMKLQRKVNG-UHFFFAOYSA-N

Compound name

ethyl 5-oxotricyclo[4.3.1.13,8]undecane-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.14125 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]+	237.148526	162.2
[M+Na]+	259.130468	168.9
[M-H]-	235.133974	163.2
[M+NH4]+	254.175073	182.9
[M+K]+	275.104408	165.2
[M+H-H2O]+	219.138510	164.5
[M+HCOO]-	281.139451	170.1
[M+CH3COO]-	295.155101	170.9
[M+Na-2H]-	257.115916	169.4
[M]+	236.14070142	162.6
[M]-	236.14179858	162.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.