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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	197.11722	146.4
[M+Na]+	219.09916	157.9
[M+NH4]+	214.14376	156.3
[M+K]+	235.07310	152.1
[M-H]-	195.10266	155.0
[M+Na-2H]-	217.08461	154.3
[M]+	196.10939	151.5
[M]-	196.11049	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe