CID 4083807

Dimethyl 4-oxo-1,2-cyclopentanedicarboxylate

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

343
Patents

200.06847 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.075746 139.9
[M+Na]+ 223.057688 147.2
[M-H]- 199.061194 143.6
[M+NH4]+ 218.102293 160.9
[M+K]+ 239.031628 147.6
[M+H-H2O]+ 183.065730 135.1
[M+HCOO]- 245.066671 161.9
[M+CH3COO]- 259.082321 182.5
[M+Na-2H]- 221.043136 140.5
[M]+ 200.06792142 142.1
[M]- 200.06901858 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe