CID 118208169

1801203-48-4

Structural Information

Molecular Formula

C₁₀H₁₄O₅

SMILES

COC(=O)C12CCC(CC1)(CO2)C(=O)O

InChI

InChI=1S/C10H14O5/c1-14-8(13)10-4-2-9(3-5-10,6-15-10)7(11)12/h2-6H2,1H3,(H,11,12)

InChIKey

VEYFMOYVLJZHRD-UHFFFAOYSA-N

Compound name

1-methoxycarbonyl-2-oxabicyclo[2.2.2]octane-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 214.08412 Da
Monoisotopic Mass: 0.2
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]+	215.09140	145.5
[M+Na]+	237.07334	149.9
[M-H]-	213.07684	141.4
[M+NH4]+	232.11794	169.9
[M+K]+	253.04728	150.4
[M+H-H2O]+	197.08138	141.6
[M+HCOO]-	259.08232	153.8
[M+CH3COO]-	273.09797	186.4
[M+Na-2H]-	235.05879	157.6
[M]+	214.08357	148.9
[M]-	214.08467	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe