CID 237640

Methyl 3-oxocyclopentanecarboxylate

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

COC(=O)C1CCC(=O)C1

InChI

InChI=1S/C7H10O3/c1-10-7(9)5-2-3-6(8)4-5/h5H,2-4H2,1H3

InChIKey

KTGCFXSELRVRFH-UHFFFAOYSA-N

Compound name

methyl 3-oxocyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 524
Patents: 142.06299 Da
Monoisotopic Mass: -0.1
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]+	143.07027	129.4
[M+Na]+	165.05221	138.6
[M+NH4]+	160.09681	137.1
[M+K]+	181.02615	136.0
[M-H]-	141.05571	129.3
[M+Na-2H]-	163.03766	132.6
[M]+	142.06244	130.3
[M]-	142.06354	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe