CID 12150600

Methyl 5-methyl-2,4-dioxohexanoate

Structural Information

Molecular Formula
C8H12O4
SMILES
CC(C)C(=O)CC(=O)C(=O)OC
InChI
InChI=1S/C8H12O4/c1-5(2)6(9)4-7(10)8(11)12-3/h5H,4H2,1-3H3
InChIKey
ISJSONREVGCKRE-UHFFFAOYSA-N
Compound name
methyl 5-methyl-2,4-dioxohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

172.07356 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 136.9
[M+Na]+ 195.06278 145.0
[M+NH4]+ 190.10738 142.4
[M+K]+ 211.03672 142.8
[M-H]- 171.06628 133.8
[M+Na-2H]- 193.04823 137.9
[M]+ 172.07301 136.7
[M]- 172.07411 136.7
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