CID 89686641

1447943-03-4

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

C1CC2(CCC1CO2)CO

InChI

InChI=1S/C8H14O2/c9-6-8-3-1-7(2-4-8)5-10-8/h7,9H,1-6H2

InChIKey

GKTRLRVVCPZDHU-UHFFFAOYSA-N

Compound name

2-oxabicyclo[2.2.2]octan-1-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 142.09938 Da
Monoisotopic Mass: 0.5
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]+	143.10666	128.0
[M+Na]+	165.08860	137.9
[M+NH4]+	160.13320	140.6
[M+K]+	181.06254	129.7
[M-H]-	141.09210	127.5
[M+Na-2H]-	163.07405	127.6
[M]+	142.09883	129.3
[M]-	142.09993	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe