CID 132349343

2138361-09-6

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CC12CCC(CC1)(CO2)C(=O)O

InChI

InChI=1S/C9H14O3/c1-8-2-4-9(5-3-8,6-12-8)7(10)11/h2-6H2,1H3,(H,10,11)

InChIKey

MYLAKWNKOPJCKL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 170.0943 Da
Monoisotopic Mass: 0.7
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]+	171.10158	136.8
[M+Na]+	193.08352	145.6
[M+NH4]+	188.12812	149.6
[M+K]+	209.05746	136.8
[M-H]-	169.08702	135.2
[M+Na-2H]-	191.06897	136.5
[M]+	170.09375	137.7
[M]-	170.09485	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe