CID 568216

2-methyl-1,6-dioxaspiro[4.5]decane

Structural Information

Molecular Formula
C9H16O2
SMILES
CC1CCC2(O1)CCCCO2
InChI
InChI=1S/C9H16O2/c1-8-4-6-9(11-8)5-2-3-7-10-9/h8H,2-7H2,1H3
InChIKey
JQEFEBJVAHPKHX-UHFFFAOYSA-N
Compound name
2-methyl-1,10-dioxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

156.11504 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 133.0
[M+Na]+ 179.10426 138.3
[M-H]- 155.10776 139.1
[M+NH4]+ 174.14886 155.1
[M+K]+ 195.07820 139.7
[M+H-H2O]+ 139.11230 128.3
[M+HCOO]- 201.11324 151.1
[M+CH3COO]- 215.12889 172.7
[M+Na-2H]- 177.08971 139.7
[M]+ 156.11449 129.0
[M]- 156.11559 129.0
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.