CID 75480882

3-ethoxy-7-oxaspiro[3.5]nonan-1-one

Structural Information

Molecular Formula
C10H16O3
SMILES
CCOC1CC(=O)C12CCOCC2
InChI
InChI=1S/C10H16O3/c1-2-13-9-7-8(11)10(9)3-5-12-6-4-10/h9H,2-7H2,1H3
InChIKey
KRWGQWBVVYSVRH-UHFFFAOYSA-N
Compound name
1-ethoxy-7-oxaspiro[3.5]nonan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10994 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 132.2
[M+Na]+ 207.09916 137.2
[M-H]- 183.10266 138.1
[M+NH4]+ 202.14376 146.6
[M+K]+ 223.07310 140.7
[M+H-H2O]+ 167.10720 122.7
[M+HCOO]- 229.10814 150.5
[M+CH3COO]- 243.12379 183.2
[M+Na-2H]- 205.08461 139.2
[M]+ 184.10939 139.8
[M]- 184.11049 139.8
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.