CID 118275502

1590372-46-5

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

COC(=O)C1CC12CCC(=O)CC2

InChI

InChI=1S/C10H14O3/c1-13-9(12)8-6-10(8)4-2-7(11)3-5-10/h8H,2-6H2,1H3

InChIKey

JKCQCZMYZXVEDY-UHFFFAOYSA-N

Compound name

methyl 6-oxospiro[2.5]octane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 182.0943 Da
Monoisotopic Mass: 0.5
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

patents stripe