CID 132343932

1-methyl-2-oxabicyclo[2.2.2]octane-4-carbaldehyde

Structural Information

Molecular Formula
C9H14O2
SMILES
CC12CCC(CC1)(CO2)C=O
InChI
InChI=1S/C9H14O2/c1-8-2-4-9(6-10,5-3-8)7-11-8/h6H,2-5,7H2,1H3
InChIKey
RDTUZVGQLJVWCG-UHFFFAOYSA-N
Compound name
1-methyl-2-oxabicyclo[2.2.2]octane-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 133.9
[M+Na]+ 177.08860 144.2
[M+NH4]+ 172.13320 147.7
[M+K]+ 193.06254 133.7
[M-H]- 153.09210 133.6
[M+Na-2H]- 175.07405 135.0
[M]+ 154.09883 135.6
[M]- 154.09993 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.