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

6
Patents

140.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 129.1
[M+Na]+ 163.072938 135.8
[M-H]- 139.076444 135.0
[M+NH4]+ 158.117543 154.8
[M+K]+ 179.046878 135.9
[M+H-H2O]+ 123.080980 125.0
[M+HCOO]- 185.081921 150.8
[M+CH3COO]- 199.097571 168.9
[M+Na-2H]- 161.058386 134.0
[M]+ 140.08317142 125.6
[M]- 140.08426858 125.6
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