CID 18598146

1-oxaspiro(4.5)decan-2-one, 8-ethyl-, cis-

Structural Information

Molecular Formula
C11H18O2
SMILES
CCC1CCC2(CC1)CCC(=O)O2
InChI
InChI=1S/C11H18O2/c1-2-9-3-6-11(7-4-9)8-5-10(12)13-11/h9H,2-8H2,1H3
InChIKey
GITDWIBIPJFPDK-UHFFFAOYSA-N
Compound name
8-ethyl-1-oxaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

129
Patents

182.13068 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 140.9
[M+Na]+ 205.119898 146.5
[M-H]- 181.123404 146.4
[M+NH4]+ 200.164503 163.5
[M+K]+ 221.093838 145.8
[M+H-H2O]+ 165.127940 135.9
[M+HCOO]- 227.128881 159.5
[M+CH3COO]- 241.144531 178.9
[M+Na-2H]- 203.105346 145.0
[M]+ 182.13013142 136.6
[M]- 182.13122858 136.6
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