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

3
Patents

142.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 130.7
[M+Na]+ 165.088598 136.8
[M-H]- 141.092104 135.3
[M+NH4]+ 160.133203 155.7
[M+K]+ 181.062538 136.5
[M+H-H2O]+ 125.096640 126.9
[M+HCOO]- 187.097581 150.7
[M+CH3COO]- 201.113231 167.1
[M+Na-2H]- 163.074046 135.3
[M]+ 142.09883142 126.1
[M]- 142.09992858 126.1
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