CID 567225

1,4-dioxaspiro[4.4]nonane

Structural Information

Molecular Formula
C7H12O2
SMILES
C1CCC2(C1)OCCO2
InChI
InChI=1S/C7H12O2/c1-2-4-7(3-1)8-5-6-9-7/h1-6H2
InChIKey
IJDXSTIWUARVEK-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

564
Patents

128.08372 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 125.1
[M+Na]+ 151.07294 131.1
[M-H]- 127.07644 131.4
[M+NH4]+ 146.11754 149.7
[M+K]+ 167.04688 133.0
[M+H-H2O]+ 111.08098 121.3
[M+HCOO]- 173.08192 145.9
[M+CH3COO]- 187.09757 139.5
[M+Na-2H]- 149.05839 132.1
[M]+ 128.08317 122.2
[M]- 128.08427 122.2
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.