CID 53249792

4-hydroxybicyclo[2.2.2]octane-1-carbaldehyde

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C1CC2(CCC1(CC2)C=O)O

InChI

InChI=1S/C9H14O2/c10-7-8-1-4-9(11,5-2-8)6-3-8/h7,11H,1-6H2

InChIKey

FHELOQCALDEPNY-UHFFFAOYSA-N

Compound name

4-hydroxybicyclo[2.2.2]octane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 154.09938 Da
Monoisotopic Mass: 0.4
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]+	155.10666	134.1
[M+Na]+	177.08860	143.5
[M+NH4]+	172.13320	147.7
[M+K]+	193.06254	133.0
[M-H]-	153.09210	132.0
[M+Na-2H]-	175.07405	135.1
[M]+	154.09883	135.0
[M]-	154.09993	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe