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
3
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]+ 183.13796 140.9
[M+Na]+ 205.11990 146.5
[M-H]- 181.12340 146.4
[M+NH4]+ 200.16450 163.5
[M+K]+ 221.09384 145.8
[M+H-H2O]+ 165.12794 135.9
[M+HCOO]- 227.12888 159.5
[M+CH3COO]- 241.14453 178.9
[M+Na-2H]- 203.10535 145.0
[M]+ 182.13013 136.6
[M]- 182.13123 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