CID 88600

Methyl 2,4-dioxopentanoate

Structural Information

Molecular Formula
C6H8O4
SMILES
CC(=O)CC(=O)C(=O)OC
InChI
InChI=1S/C6H8O4/c1-4(7)3-5(8)6(9)10-2/h3H2,1-2H3
InChIKey
OMHOEQINEXASKE-UHFFFAOYSA-N
Compound name
methyl 2,4-dioxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

196
Patents

144.04225 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04953 128.4
[M+Na]+ 167.03147 137.2
[M+NH4]+ 162.07607 134.3
[M+K]+ 183.00541 134.6
[M-H]- 143.03497 125.6
[M+Na-2H]- 165.01692 130.2
[M]+ 144.04170 128.4
[M]- 144.04280 128.4
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