CID 53488063

1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone

Structural Information

Molecular Formula
C8H12O2
SMILES
CC(=O)C1CC2CCC1O2
InChI
InChI=1S/C8H12O2/c1-5(9)7-4-6-2-3-8(7)10-6/h6-8H,2-4H2,1H3
InChIKey
AJENGVZEIVIXKF-UHFFFAOYSA-N
Compound name
1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

140.08372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 128.5
[M+Na]+ 163.07294 137.2
[M+NH4]+ 158.11754 137.8
[M+K]+ 179.04688 136.2
[M-H]- 139.07644 129.7
[M+Na-2H]- 161.05839 129.3
[M]+ 140.08317 129.8
[M]- 140.08427 129.8
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

patents stripe