CID 12765152

81687-89-0

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

COC12CCC(CC1)(C(=O)C2)C(=O)O

InChI

InChI=1S/C10H14O4/c1-14-9-2-4-10(5-3-9,8(12)13)7(11)6-9/h2-6H2,1H3,(H,12,13)

InChIKey

PPMABBAXEJXFKM-UHFFFAOYSA-N

Compound name

4-methoxy-2-oxobicyclo[2.2.2]octane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 198.0892 Da
Monoisotopic Mass: 0.8
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]+	199.09648	142.3
[M+Na]+	221.07842	150.5
[M+NH4]+	216.12302	154.2
[M+K]+	237.05236	141.8
[M-H]-	197.08192	138.6
[M+Na-2H]-	219.06387	141.7
[M]+	198.08865	142.4
[M]-	198.08975	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe