CID 87285691

Ethyl 6,6-dimethyl-2,4-dioxoheptanoate

Structural Information

Molecular Formula
C11H18O4
SMILES
CCOC(=O)C(=O)CC(=O)CC(C)(C)C
InChI
InChI=1S/C11H18O4/c1-5-15-10(14)9(13)6-8(12)7-11(2,3)4/h5-7H2,1-4H3
InChIKey
FBCDFJOACHGKQC-UHFFFAOYSA-N
Compound name
ethyl 6,6-dimethyl-2,4-dioxoheptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

214.12051 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.127786 147.9
[M+Na]+ 237.109728 153.9
[M-H]- 213.113234 148.1
[M+NH4]+ 232.154333 166.7
[M+K]+ 253.083668 154.4
[M+H-H2O]+ 197.117770 143.4
[M+HCOO]- 259.118711 167.3
[M+CH3COO]- 273.134361 188.9
[M+Na-2H]- 235.095176 149.9
[M]+ 214.11996142 152.4
[M]- 214.12105858 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.