CID 9898947

1,4-dioxaspiro[4.5]decane-8-carbaldehyde

Structural Information

Molecular Formula
C9H14O3
SMILES
C1CC2(CCC1C=O)OCCO2
InChI
InChI=1S/C9H14O3/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h7-8H,1-6H2
InChIKey
HFBULKBCEFQYCJ-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.5]decane-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

319
Patents

170.0943 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 136.7
[M+Na]+ 193.08352 146.5
[M+NH4]+ 188.12812 146.9
[M+K]+ 209.05746 141.5
[M-H]- 169.08702 141.4
[M+Na-2H]- 191.06897 141.6
[M]+ 170.09375 139.4
[M]- 170.09485 139.4
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

patents stripe