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

549
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 126.0
[M+Na]+ 151.07294 135.3
[M+NH4]+ 146.11754 137.1
[M+K]+ 167.04688 132.2
[M-H]- 127.07644 130.7
[M+Na-2H]- 149.05839 131.3
[M]+ 128.08317 128.7
[M]- 128.08427 128.7
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