CID 154856938

2490430-33-4

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

COCC12CCC(CC1)(CO2)C(=O)O

InChI

InChI=1S/C10H16O4/c1-13-7-10-4-2-9(3-5-10,6-14-10)8(11)12/h2-7H2,1H3,(H,11,12)

InChIKey

YCYLXOOJTUHEMH-UHFFFAOYSA-N

Compound name

1-(methoxymethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 200.10486 Da
Monoisotopic Mass: 0.1
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]+	201.11214	143.9
[M+Na]+	223.09408	152.0
[M+NH4]+	218.13868	155.9
[M+K]+	239.06802	143.4
[M-H]-	199.09758	141.7
[M+Na-2H]-	221.07953	142.9
[M]+	200.10431	144.5
[M]-	200.10541	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe