CID 132342198

1,8-dioxaspiro[4.5]decan-4-one

Structural Information

Molecular Formula
C8H12O3
SMILES
C1COC2(C1=O)CCOCC2
InChI
InChI=1S/C8H12O3/c9-7-1-4-11-8(7)2-5-10-6-3-8/h1-6H2
InChIKey
FLXUUHNEGZJDAC-UHFFFAOYSA-N
Compound name
1,8-dioxaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 130.1
[M+Na]+ 179.06786 136.0
[M-H]- 155.07136 136.4
[M+NH4]+ 174.11246 152.0
[M+K]+ 195.04180 137.5
[M+H-H2O]+ 139.07590 125.5
[M+HCOO]- 201.07684 148.9
[M+CH3COO]- 215.09249 171.0
[M+Na-2H]- 177.05331 137.5
[M]+ 156.07809 126.5
[M]- 156.07919 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

No patent data available for this compound.