CID 81190

Cyclooctanecarbaldehyde

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

C1CCCC(CCC1)C=O

InChI

InChI=1S/C9H16O/c10-8-9-6-4-2-1-3-5-7-9/h8-9H,1-7H2

InChIKey

IGGUWVNICWZJQU-UHFFFAOYSA-N

Compound name

cyclooctanecarbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1575
Patents: 140.12012 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]+	141.12740	141.2
[M+Na]+	163.10934	145.2
[M-H]-	139.11284	142.8
[M+NH4]+	158.15394	150.9
[M+K]+	179.08328	145.8
[M+H-H2O]+	123.11738	138.0
[M+HCOO]-	185.11832	150.5
[M+CH3COO]-	199.13397	218.0
[M+Na-2H]-	161.09479	142.1
[M]+	140.11957	139.2
[M]-	140.12067	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe