CID 115353601

Methyl3,5-dimethyl-2,4-dioxohexanoate

Structural Information

Molecular Formula
C9H14O4
SMILES
CC(C)C(=O)C(C)C(=O)C(=O)OC
InChI
InChI=1S/C9H14O4/c1-5(2)7(10)6(3)8(11)9(12)13-4/h5-6H,1-4H3
InChIKey
VXGOGEZZHCPSGO-UHFFFAOYSA-N
Compound name
methyl 3,5-dimethyl-2,4-dioxohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0892 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09648 139.2
[M+Na]+ 209.07842 145.1
[M-H]- 185.08192 139.5
[M+NH4]+ 204.12302 158.7
[M+K]+ 225.05236 146.6
[M+H-H2O]+ 169.08646 134.5
[M+HCOO]- 231.08740 158.8
[M+CH3COO]- 245.10305 185.3
[M+Na-2H]- 207.06387 138.8
[M]+ 186.08865 142.2
[M]- 186.08975 142.2
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

No patent data available for this compound.