CID 91663004

8-oxaspiro[4.5]decan-1-ol

Structural Information

Molecular Formula
C9H16O2
SMILES
C1CC(C2(C1)CCOCC2)O
InChI
InChI=1S/C9H16O2/c10-8-2-1-3-9(8)4-6-11-7-5-9/h8,10H,1-7H2
InChIKey
PKRSRKPEWPHSTA-UHFFFAOYSA-N
Compound name
8-oxaspiro[4.5]decan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

156.11504 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 134.3
[M+Na]+ 179.104258 139.1
[M-H]- 155.107764 138.4
[M+NH4]+ 174.148863 157.0
[M+K]+ 195.078198 138.6
[M+H-H2O]+ 139.112300 129.6
[M+HCOO]- 201.113241 151.9
[M+CH3COO]- 215.128891 170.0
[M+Na-2H]- 177.089706 139.7
[M]+ 156.11449142 127.8
[M]- 156.11558858 127.8
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

patents stripe