CID 15566992

2-oxaspiro[4.4]nonan-1-one

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CCC2(C1)CCOC2=O
InChI
InChI=1S/C8H12O2/c9-7-8(5-6-10-7)3-1-2-4-8/h1-6H2
InChIKey
PBZONIMHAVOWHW-UHFFFAOYSA-N
Compound name
2-oxaspiro[4.4]nonan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

140.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 130.2
[M+Na]+ 163.07294 139.2
[M+NH4]+ 158.11754 140.9
[M+K]+ 179.04688 135.7
[M-H]- 139.07644 133.3
[M+Na-2H]- 161.05839 135.2
[M]+ 140.08317 132.2
[M]- 140.08427 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe