CID 24209564

Ethyl 6-oxospiro[2.5]octane-5-carboxylate

Structural Information

Molecular Formula
C11H16O3
SMILES
CCOC(=O)C1CC2(CCC1=O)CC2
InChI
InChI=1S/C11H16O3/c1-2-14-10(13)8-7-11(5-6-11)4-3-9(8)12/h8H,2-7H2,1H3
InChIKey
ADUCMVOEOKSSOW-UHFFFAOYSA-N
Compound name
ethyl 6-oxospiro[2.5]octane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

196.10994 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 145.5
[M+Na]+ 219.099158 153.5
[M-H]- 195.102664 151.8
[M+NH4]+ 214.143763 162.3
[M+K]+ 235.073098 152.2
[M+H-H2O]+ 179.107200 140.3
[M+HCOO]- 241.108141 164.9
[M+CH3COO]- 255.123791 185.8
[M+Na-2H]- 217.084606 149.8
[M]+ 196.10939142 146.9
[M]- 196.11048858 146.9
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