CID 5076552

Methyl 4,4-dimethoxy-3-oxopentanoate

Structural Information

Molecular Formula
C8H14O5
SMILES
CC(C(=O)CC(=O)OC)(OC)OC
InChI
InChI=1S/C8H14O5/c1-8(12-3,13-4)6(9)5-7(10)11-2/h5H2,1-4H3
InChIKey
ZQFJOBUKEHFXKY-UHFFFAOYSA-N
Compound name
methyl 4,4-dimethoxy-3-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

190.08412 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09140 138.6
[M+Na]+ 213.07334 145.6
[M-H]- 189.07684 139.1
[M+NH4]+ 208.11794 158.3
[M+K]+ 229.04728 147.4
[M+H-H2O]+ 173.08138 134.2
[M+HCOO]- 235.08232 160.0
[M+CH3COO]- 249.09797 182.7
[M+Na-2H]- 211.05879 143.4
[M]+ 190.08357 144.9
[M]- 190.08467 144.9
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