CID 107338

4791-69-9

Structural Information

Molecular Formula

C₁₄H₂₀O₃

SMILES

CCOC(=O)C1C2(O1)CC3CC2C4C3CCC4

InChI

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

InChIKey

GERTUMCUNLMNHD-UHFFFAOYSA-N

Compound name

ethyl spiro[oxirane-3,8'-tricyclo[5.2.1.02,6]decane]-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.14125 Da
Monoisotopic Mass: 2.7
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	156.1
[M+Na]+	259.130468	165.2
[M-H]-	235.133974	163.0
[M+NH4]+	254.175073	177.4
[M+K]+	275.104408	162.3
[M+H-H2O]+	219.138510	153.7
[M+HCOO]-	281.139451	171.9
[M+CH3COO]-	295.155101	168.4
[M+Na-2H]-	257.115916	157.3
[M]+	236.14070142	160.1
[M]-	236.14179858	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.