CID 83403

Ethyl 5,5-dimethyl-2,4-dioxohexanoate

Structural Information

Molecular Formula
C10H16O4
SMILES
CCOC(=O)C(=O)CC(=O)C(C)(C)C
InChI
InChI=1S/C10H16O4/c1-5-14-9(13)7(11)6-8(12)10(2,3)4/h5-6H2,1-4H3
InChIKey
NIMKIMUBJFWPTD-UHFFFAOYSA-N
Compound name
ethyl 5,5-dimethyl-2,4-dioxohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

200.10486 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 145.0
[M+Na]+ 223.09408 152.7
[M+NH4]+ 218.13868 150.1
[M+K]+ 239.06802 150.5
[M-H]- 199.09758 141.4
[M+Na-2H]- 221.07953 145.8
[M]+ 200.10431 144.6
[M]- 200.10541 144.6
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

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