CID 58424313

2-oxabicyclo[2.2.2]octane-4-carbaldehyde

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC2(CCC1OC2)C=O
InChI
InChI=1S/C8H12O2/c9-5-8-3-1-7(2-4-8)10-6-8/h5,7H,1-4,6H2
InChIKey
GUYYUSXZUIQQKA-UHFFFAOYSA-N
Compound name
2-oxabicyclo[2.2.2]octane-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

140.08372 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 125.9
[M+Na]+ 163.07294 131.0
[M-H]- 139.07644 123.6
[M+NH4]+ 158.11754 152.4
[M+K]+ 179.04688 130.7
[M+H-H2O]+ 123.08098 121.6
[M+HCOO]- 185.08192 138.1
[M+CH3COO]- 199.09757 138.0
[M+Na-2H]- 161.05839 140.2
[M]+ 140.08317 127.4
[M]- 140.08427 127.4
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