CID 75458718

2,8-dioxaspiro[4.5]decan-1-one

Structural Information

Molecular Formula
C8H12O3
SMILES
C1COCCC12CCOC2=O
InChI
InChI=1S/C8H12O3/c9-7-8(3-6-11-7)1-4-10-5-2-8/h1-6H2
InChIKey
APIPWCNIYUXQKS-UHFFFAOYSA-N
Compound name
2,8-dioxaspiro[4.5]decan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

156.07864 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 130.1
[M+Na]+ 179.067858 136.0
[M-H]- 155.071364 136.4
[M+NH4]+ 174.112463 152.0
[M+K]+ 195.041798 137.5
[M+H-H2O]+ 139.075900 125.5
[M+HCOO]- 201.076841 148.9
[M+CH3COO]- 215.092491 171.0
[M+Na-2H]- 177.053306 137.5
[M]+ 156.07809142 126.5
[M]- 156.07918858 126.5
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