CID 140410

Bicyclo[2.2.2]octan-2-ol

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C1CC2CCC1CC2O

InChI

InChI=1S/C8H14O/c9-8-5-6-1-3-7(8)4-2-6/h6-9H,1-5H2

InChIKey

BDNQWBJLWGNPAL-UHFFFAOYSA-N

Compound name

bicyclo[2.2.2]octan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 119
Patents: 126.10446 Da
Monoisotopic Mass: 1.8
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]+	127.11174	121.3
[M+Na]+	149.09368	131.6
[M+NH4]+	144.13828	133.2
[M+K]+	165.06762	124.7
[M-H]-	125.09718	120.1
[M+Na-2H]-	147.07913	120.5
[M]+	126.10391	122.4
[M]-	126.10501	122.4

Literature stripe

literature stripe

Patent stripe

patents stripe