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 144.0
[M+Na]+ 223.09408 149.5
[M-H]- 199.09758 144.1
[M+NH4]+ 218.13868 163.0
[M+K]+ 239.06802 150.7
[M+H-H2O]+ 183.10212 139.2
[M+HCOO]- 245.10306 163.2
[M+CH3COO]- 259.11871 188.2
[M+Na-2H]- 221.07953 143.1
[M]+ 200.10431 147.3
[M]- 200.10541 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

No literature data available for this compound.

Patent stripe

patents stripe