CID 10997156

109459-50-9

Structural Information

Molecular Formula
C7H12O3
SMILES
C1CC(C2(C1)OCCO2)O
InChI
InChI=1S/C7H12O3/c8-6-2-1-3-7(6)9-4-5-10-7/h6,8H,1-5H2
InChIKey
CECBIFLRVTZGRU-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.4]nonan-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 127.9
[M+Na]+ 167.06786 134.4
[M-H]- 143.07136 133.2
[M+NH4]+ 162.11246 151.5
[M+K]+ 183.04180 135.7
[M+H-H2O]+ 127.07590 124.6
[M+HCOO]- 189.07684 147.5
[M+CH3COO]- 203.09249 166.3
[M+Na-2H]- 165.05331 134.1
[M]+ 144.07809 125.0
[M]- 144.07919 125.0
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

No patent data available for this compound.