CID 10774398

Ethyl 3-acetyl-2-methyl-4-oxopentanoate

Structural Information

Molecular Formula
C10H16O4
SMILES
CCOC(=O)C(C)C(C(=O)C)C(=O)C
InChI
InChI=1S/C10H16O4/c1-5-14-10(13)6(2)9(7(3)11)8(4)12/h6,9H,5H2,1-4H3
InChIKey
GJAKVEZXDGDNIS-UHFFFAOYSA-N
Compound name
ethyl 3-acetyl-2-methyl-4-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

200.10486 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 145.3
[M+Na]+ 223.09408 152.6
[M+NH4]+ 218.13868 150.3
[M+K]+ 239.06802 150.8
[M-H]- 199.09758 141.9
[M+Na-2H]- 221.07953 145.5
[M]+ 200.10431 144.8
[M]- 200.10541 144.8
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

patents stripe