CID 24209556

Ethyl 6-oxospiro[2.4]heptane-5-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

CCOC(=O)C1CC2(CC2)CC1=O

InChI

InChI=1S/C10H14O3/c1-2-13-9(12)7-5-10(3-4-10)6-8(7)11/h7H,2-6H2,1H3

InChIKey

BRBZXNIHZZHZMW-UHFFFAOYSA-N

Compound name

ethyl 6-oxospiro[2.4]heptane-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.0943 Da
Monoisotopic Mass: 1.5
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]+	183.101576	140.7
[M+Na]+	205.083518	150.1
[M-H]-	181.087024	147.4
[M+NH4]+	200.128123	159.8
[M+K]+	221.057458	148.3
[M+H-H2O]+	165.091560	136.4
[M+HCOO]-	227.092501	162.2
[M+CH3COO]-	241.108151	182.6
[M+Na-2H]-	203.068966	144.4
[M]+	182.09375142	143.7
[M]-	182.09484858	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.