CID 67126894

2-oxaspiro[3.5]nonan-7-one

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC2(CCC1=O)COC2
InChI
InChI=1S/C8H12O2/c9-7-1-3-8(4-2-7)5-10-6-8/h1-6H2
InChIKey
BDCXOUHNUCOJAW-UHFFFAOYSA-N
Compound name
2-oxaspiro[3.5]nonan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

140.08372 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 120.5
[M+Na]+ 163.072938 125.7
[M-H]- 139.076444 126.5
[M+NH4]+ 158.117543 136.5
[M+K]+ 179.046878 129.1
[M+H-H2O]+ 123.080980 111.4
[M+HCOO]- 185.081921 139.4
[M+CH3COO]- 199.097571 174.3
[M+Na-2H]- 161.058386 129.2
[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

No literature data available for this compound.

Patent stripe

patents stripe