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]+ 141.09100 126.8
[M+Na]+ 163.07294 133.5
[M-H]- 139.07644 129.9
[M+NH4]+ 158.11754 150.6
[M+K]+ 179.04688 133.3
[M+H-H2O]+ 123.08098 122.6
[M+HCOO]- 185.08192 146.1
[M+CH3COO]- 199.09757 172.6
[M+Na-2H]- 161.05839 133.6
[M]+ 140.08317 125.2
[M]- 140.08427 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