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

9
Patents

196.10994 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11722 145.5
[M+Na]+ 219.09916 153.5
[M-H]- 195.10266 151.8
[M+NH4]+ 214.14376 162.3
[M+K]+ 235.07310 152.2
[M+H-H2O]+ 179.10720 140.3
[M+HCOO]- 241.10814 164.9
[M+CH3COO]- 255.12379 185.8
[M+Na-2H]- 217.08461 149.8
[M]+ 196.10939 146.9
[M]- 196.11049 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