CID 240602

1,4-dioxaspiro[4.5]decan-7-one

Structural Information

Molecular Formula
C8H12O3
SMILES
C1CC(=O)CC2(C1)OCCO2
InChI
InChI=1S/C8H12O3/c9-7-2-1-3-8(6-7)10-4-5-11-8/h1-6H2
InChIKey
TVXYCOHQUCHFAM-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.5]decan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

156.07864 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 132.2
[M+Na]+ 179.06786 142.3
[M+NH4]+ 174.11246 142.6
[M+K]+ 195.04180 137.5
[M-H]- 155.07136 136.9
[M+Na-2H]- 177.05331 137.4
[M]+ 156.07809 135.0
[M]- 156.07919 135.0
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

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