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

58
Patents

190.08412 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.091396 138.6
[M+Na]+ 213.073338 145.6
[M-H]- 189.076844 139.1
[M+NH4]+ 208.117943 158.3
[M+K]+ 229.047278 147.4
[M+H-H2O]+ 173.081380 134.2
[M+HCOO]- 235.082321 160.0
[M+CH3COO]- 249.097971 182.7
[M+Na-2H]- 211.058786 143.4
[M]+ 190.08357142 144.9
[M]- 190.08466858 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