CID 140706

Bicyclo[2.2.2]octan-1-ol

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C1CC2(CCC1CC2)O

InChI

InChI=1S/C8H14O/c9-8-4-1-7(2-5-8)3-6-8/h7,9H,1-6H2

InChIKey

UOTOQJFVJGLVGK-UHFFFAOYSA-N

Compound name

bicyclo[2.2.2]octan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 724
Patents: 126.10446 Da
Monoisotopic Mass: 1.4
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	127.2
[M+Na]+	149.09368	131.7
[M-H]-	125.09718	123.0
[M+NH4]+	144.13828	155.0
[M+K]+	165.06762	129.5
[M+H-H2O]+	109.10172	123.5
[M+HCOO]-	171.10266	138.5
[M+CH3COO]-	185.11831	138.5
[M+Na-2H]-	147.07913	140.0
[M]+	126.10391	125.6
[M]-	126.10501	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe