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

1455
Patents

140.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 135.5
[M+Na]+ 163.10934 139.0
[M+NH4]+ 158.15394 138.7
[M+K]+ 179.08328 138.6
[M-H]- 139.11284 136.4
[M+Na-2H]- 161.09479 139.1
[M]+ 140.11957 136.1
[M]- 140.12067 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe