CID 14065772

9-oxabicyclo[4.2.1]nonan-2-one

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC2CCC(O2)C(=O)C1
InChI
InChI=1S/C8H12O2/c9-7-3-1-2-6-4-5-8(7)10-6/h6,8H,1-5H2
InChIKey
ICGPXFYZBUHKGI-UHFFFAOYSA-N
Compound name
9-oxabicyclo[4.2.1]nonan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 123.5
[M+Na]+ 163.07294 128.5
[M-H]- 139.07644 127.9
[M+NH4]+ 158.11754 145.6
[M+K]+ 179.04688 131.0
[M+H-H2O]+ 123.08098 120.3
[M+HCOO]- 185.08192 142.1
[M+CH3COO]- 199.09757 175.0
[M+Na-2H]- 161.05839 130.0
[M]+ 140.08317 118.8
[M]- 140.08427 118.8
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.