CID 127263526

1-oxaspiro[4.4]nonan-3-ol

Structural Information

Molecular Formula
C8H14O2
SMILES
C1CCC2(C1)CC(CO2)O
InChI
InChI=1S/C8H14O2/c9-7-5-8(10-6-7)3-1-2-4-8/h7,9H,1-6H2
InChIKey
IJYLVXISVKDBSA-UHFFFAOYSA-N
Compound name
1-oxaspiro[4.4]nonan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

142.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 130.7
[M+Na]+ 165.08860 139.1
[M+NH4]+ 160.13320 141.4
[M+K]+ 181.06254 136.0
[M-H]- 141.09210 133.6
[M+Na-2H]- 163.07405 135.3
[M]+ 142.09883 132.6
[M]- 142.09993 132.6
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