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: 21
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]+	143.106656	128.2
[M+Na]+	165.088598	132.7
[M-H]-	141.092104	124.5
[M+NH4]+	160.133203	154.0
[M+K]+	181.062538	132.1
[M+H-H2O]+	125.096640	124.2
[M+HCOO]-	187.097581	138.7
[M+CH3COO]-	201.113231	139.5
[M+Na-2H]-	163.074046	142.1
[M]+	142.09883142	128.7
[M]-	142.09992858	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe