CID 567498

1,4-dioxaspiro[4.6]undecan-6-one

Structural Information

Molecular Formula
C9H14O3
SMILES
C1CCC(=O)C2(CC1)OCCO2
InChI
InChI=1S/C9H14O3/c10-8-4-2-1-3-5-9(8)11-6-7-12-9/h1-7H2
InChIKey
ZICAMABFFYFUNV-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.6]undecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 131.0
[M+Na]+ 193.08352 134.5
[M-H]- 169.08702 137.9
[M+NH4]+ 188.12812 150.6
[M+K]+ 209.05746 138.2
[M+H-H2O]+ 153.09156 126.5
[M+HCOO]- 215.09250 148.6
[M+CH3COO]- 229.10815 143.5
[M+Na-2H]- 191.06897 137.3
[M]+ 170.09375 124.5
[M]- 170.09485 124.5
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

No patent data available for this compound.