CID 137698885

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

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

COC(=O)C1CC2(CCC1=O)CC2

InChI

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

InChIKey

BFCRZRFICHHRGV-UHFFFAOYSA-N

Compound name

methyl 6-oxospiro[2.5]octane-7-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	141.3
[M+Na]+	205.083518	149.7
[M-H]-	181.087024	147.8
[M+NH4]+	200.128123	158.6
[M+K]+	221.057458	148.6
[M+H-H2O]+	165.091560	136.3
[M+HCOO]-	227.092501	161.0
[M+CH3COO]-	241.108151	182.9
[M+Na-2H]-	203.068966	146.1
[M]+	182.09375142	142.3
[M]-	182.09484858	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.