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]+ 145.085916 127.9
[M+Na]+ 167.067858 134.4
[M-H]- 143.071364 133.2
[M+NH4]+ 162.112463 151.5
[M+K]+ 183.041798 135.7
[M+H-H2O]+ 127.075900 124.6
[M+HCOO]- 189.076841 147.5
[M+CH3COO]- 203.092491 166.3
[M+Na-2H]- 165.053306 134.1
[M]+ 144.07809142 125.0
[M]- 144.07918858 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.