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: 126
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	125.2
[M+Na]+	149.09368	129.5
[M-H]-	125.09718	121.0
[M+NH4]+	144.13828	151.3
[M+K]+	165.06762	127.5
[M+H-H2O]+	109.10172	121.8
[M+HCOO]-	171.10266	136.5
[M+CH3COO]-	185.11831	136.6
[M+Na-2H]-	147.07913	136.7
[M]+	126.10391	123.7
[M]-	126.10501	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe