CID 59811195

8-oxabicyclo[3.2.1]octane-3-carbaldehyde

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC2CC(CC1O2)C=O
InChI
InChI=1S/C8H12O2/c9-5-6-3-7-1-2-8(4-6)10-7/h5-8H,1-4H2
InChIKey
VJGSCLSLLKZVLK-UHFFFAOYSA-N
Compound name
8-oxabicyclo[3.2.1]octane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

140.08372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 126.8
[M+Na]+ 163.072938 133.5
[M-H]- 139.076444 129.9
[M+NH4]+ 158.117543 150.6
[M+K]+ 179.046878 133.3
[M+H-H2O]+ 123.080980 122.6
[M+HCOO]- 185.081921 146.1
[M+CH3COO]- 199.097571 172.6
[M+Na-2H]- 161.058386 133.6
[M]+ 140.08317142 125.2
[M]- 140.08426858 125.2
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

patents stripe