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]+	201.112136	143.8
[M+Na]+	223.094078	148.3
[M-H]-	199.097584	139.8
[M+NH4]+	218.138683	168.9
[M+K]+	239.068018	148.2
[M+H-H2O]+	183.102120	139.6
[M+HCOO]-	245.103061	152.8
[M+CH3COO]-	259.118711	184.7
[M+Na-2H]-	221.079526	156.7
[M]+	200.10431142	147.0
[M]-	200.10540858	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe