CID 13735234

Bicyclo[2.2.2]octane-1-carbaldehyde

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C1CC2(CCC1CC2)C=O

InChI

InChI=1S/C9H14O/c10-7-9-4-1-8(2-5-9)3-6-9/h7-8H,1-6H2

InChIKey

MPLAMJZRRHSDCU-UHFFFAOYSA-N

Compound name

bicyclo[2.2.2]octane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 285
Patents: 138.10446 Da
Monoisotopic Mass: 2.0
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]+	139.11174	128.9
[M+Na]+	161.09368	139.2
[M+NH4]+	156.13828	142.0
[M+K]+	177.06762	129.7
[M-H]-	137.09718	127.8
[M+Na-2H]-	159.07913	129.5
[M]+	138.10391	130.1
[M]-	138.10501	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe