CID 9093

1,4-dioxaspiro[4.5]decane

Structural Information

Molecular Formula
C8H14O2
SMILES
C1CCC2(CC1)OCCO2
InChI
InChI=1S/C8H14O2/c1-2-4-8(5-3-1)9-6-7-10-8/h1-7H2
InChIKey
GZGPRZYZKBQPBQ-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2890
Patents

142.09938 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 128.9
[M+Na]+ 165.08860 133.6
[M-H]- 141.09210 134.8
[M+NH4]+ 160.13320 151.2
[M+K]+ 181.06254 135.3
[M+H-H2O]+ 125.09664 124.0
[M+HCOO]- 187.09758 147.3
[M+CH3COO]- 201.11323 142.3
[M+Na-2H]- 163.07405 136.7
[M]+ 142.09883 124.1
[M]- 142.09993 124.1
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

patents stripe