CID 3006751

Ethyl 6-methyl-2,4-dioxoheptanoate

Structural Information

Molecular Formula
C10H16O4
SMILES
CCOC(=O)C(=O)CC(=O)CC(C)C
InChI
InChI=1S/C10H16O4/c1-4-14-10(13)9(12)6-8(11)5-7(2)3/h7H,4-6H2,1-3H3
InChIKey
YYOKAEPCOREILS-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-2,4-dioxoheptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

88
Patents

200.10486 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 145.6
[M+Na]+ 223.09408 153.3
[M+NH4]+ 218.13868 150.7
[M+K]+ 239.06802 150.5
[M-H]- 199.09758 142.4
[M+Na-2H]- 221.07953 146.1
[M]+ 200.10431 145.2
[M]- 200.10541 145.2
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