CID 4083807

6453-07-2

Structural Information

Molecular Formula

C₉H₁₂O₅

SMILES

COC(=O)C1CC(=O)CC1C(=O)OC

InChI

InChI=1S/C9H12O5/c1-13-8(11)6-3-5(10)4-7(6)9(12)14-2/h6-7H,3-4H2,1-2H3

InChIKey

GMKJWKXCHOWVDN-UHFFFAOYSA-N

Compound name

dimethyl 4-oxocyclopentane-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 294
Patents: 200.06847 Da
Monoisotopic Mass: -0.6
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]+	201.07575	142.6
[M+Na]+	223.05769	150.5
[M+NH4]+	218.10229	148.4
[M+K]+	239.03163	149.5
[M-H]-	199.06119	141.0
[M+Na-2H]-	221.04314	143.8
[M]+	200.06792	142.7
[M]-	200.06902	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe