CID 130125840

2-{bicyclo[2.2.2]octan-2-yl}ethan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

C1CC2CCC1CC2CCO

InChI

InChI=1S/C10H18O/c11-6-5-10-7-8-1-3-9(10)4-2-8/h8-11H,1-7H2

InChIKey

BAKBYJRLGUYOFT-UHFFFAOYSA-N

Compound name

2-(2-bicyclo[2.2.2]octanyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.13577 Da
Monoisotopic Mass: 2.9
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]+	155.143046	134.7
[M+Na]+	177.124988	138.1
[M-H]-	153.128494	130.0
[M+NH4]+	172.169593	159.6
[M+K]+	193.098928	135.6
[M+H-H2O]+	137.133030	130.9
[M+HCOO]-	199.133971	145.3
[M+CH3COO]-	213.149621	145.1
[M+Na-2H]-	175.110436	145.1
[M]+	154.13522142	133.8
[M]-	154.13631858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.