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

210
Patents

200.10486 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.112136 143.1
[M+Na]+ 223.094078 149.6
[M-H]- 199.097584 143.5
[M+NH4]+ 218.138683 162.5
[M+K]+ 239.068018 150.3
[M+H-H2O]+ 183.102120 138.9
[M+HCOO]- 245.103061 162.9
[M+CH3COO]- 259.118711 185.9
[M+Na-2H]- 221.079526 145.6
[M]+ 200.10431142 147.3
[M]- 200.10540858 147.3
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