CID 9096

1,5-dioxaspiro[5.5]undecane

Structural Information

Molecular Formula
C9H16O2
SMILES
C1CCC2(CC1)OCCCO2
InChI
InChI=1S/C9H16O2/c1-2-5-9(6-3-1)10-7-4-8-11-9/h1-8H2
InChIKey
LSDTWMHYCLFXBZ-UHFFFAOYSA-N
Compound name
1,5-dioxaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

339
Patents

156.11504 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 133.3
[M+Na]+ 179.10426 136.6
[M-H]- 155.10776 138.8
[M+NH4]+ 174.14886 153.1
[M+K]+ 195.07820 138.3
[M+H-H2O]+ 139.11230 127.4
[M+HCOO]- 201.11324 149.2
[M+CH3COO]- 215.12889 145.5
[M+Na-2H]- 177.08971 142.0
[M]+ 156.11449 126.7
[M]- 156.11559 126.7
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.