CID 67437

1,7-dioxaspiro[5.5]undecane

Structural Information

Molecular Formula
C9H16O2
SMILES
C1CCOC2(C1)CCCCO2
InChI
InChI=1S/C9H16O2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1-8H2
InChIKey
GBBVHDGKDQAEOT-UHFFFAOYSA-N
Compound name
1,7-dioxaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

2736
Patents

156.11504 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 133.3
[M+Na]+ 179.104258 136.6
[M-H]- 155.107764 138.8
[M+NH4]+ 174.148863 153.1
[M+K]+ 195.078198 138.3
[M+H-H2O]+ 139.112300 127.4
[M+HCOO]- 201.113241 149.2
[M+CH3COO]- 215.128891 145.5
[M+Na-2H]- 177.089706 142.0
[M]+ 156.11449142 126.7
[M]- 156.11558858 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

literature stripe

Patent stripe

patents stripe