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

7
Patents

200.10486 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.112136 144.0
[M+Na]+ 223.094078 149.5
[M-H]- 199.097584 144.1
[M+NH4]+ 218.138683 163.0
[M+K]+ 239.068018 150.7
[M+H-H2O]+ 183.102120 139.2
[M+HCOO]- 245.103061 163.2
[M+CH3COO]- 259.118711 188.2
[M+Na-2H]- 221.079526 143.1
[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

No literature data available for this compound.

Patent stripe

patents stripe